List of HIFI data

Table.List of HIFI data with metafile.
HIFI ID Scientific name Name Stable isotope label Instrument Polarity Acquisition Number of ion Metadata
HIFI_001 Allium cepa onion none LC-FTICR-MS Positive MS 189,536 Click
HIFI_002 Allium cepa onion 13C LC-FTICR-MS Positive MS 185,507 Click
HIFI_003 Allium cepa onion none LC-FTICR-MS Positive MS/MS 36,321 Click
HIFI_004 Allium sativum garlic none LC-FTICR-MS Positive MS 192,613 Click
HIFI_005 Allium sativum garlic none LC-FTICR-MS Positive MS/MS 45,360 Click
HIFI_006 Allium fistulosum green onion none LC-FTICR-MS Positive MS 187,700 Click
HIFI_007 Allium fistulosum green onion none LC-FTICR-MS Positive MS/MS 31,082 Click
HIFI_008 Allium cepa onion none LC-FTICR-MS Positive MS 173,782 Click
HIFI_009 Allium cepa onion none LC-FTICR-MS Positive MS/MS 36,939 Click
Table.HIFI_001 Metadata
Tag Data
Author Dr. Ryo Nakabayashi
Institute RIKEN CSRS, Japan
Date of data recording 2013/2/26
Species Allium cepa
Genotype no information
Organ bulb
Growth support no information
Growth location Closed Growth Chamber
Growth plot design no information
Light light, 600 mmols-1m-2; day/night cycle, 14/10 h
Humidity relative humidity, 75%/85% (day/night)
Temperature 23/15 ℃ (day/night)
Watering regime no information
Nutritional regime hydroponics nutrient solution, Hoagland type
Catalogue number Non-labeled, N-61101; 13C labeled, U-61101
Supplier IsoLife: Droevendaalsesteeg 1, Bldg 107, NL-6708 PB Wageningen
Date(s) of plant establishment no information
Other specific metadata nothing special
Biotic treatment not treated
Abiotic treatment not treated
Intervention treatment not treated
Treatment dose or intensity levels not treated
Treatment time, time intervals and duration before harvest not treated
Harvest date, time no information
Plant growth stage 12 weeks
Metabolism quenching method Freezing with liquid N2
Harvest method After cutting 12-week-old bulbs into 1-cm squares, the samples were immediately frozen with liquid nitrogen and lyophilized at -55 ℃
Sample strage The lyophilized materials were stored at room temperature with silica gel
Reprecate sampling and analyses n=1
Tissue harvesting method Time from tissue resection to liquid N2 freezing was one minute. Tissues were pooled in ependorf tube.
Tissue processing method no processing
Storage condition prior to extraction or further processing The lyophilized materials were stored at room temperature with silica gel
Extraction method The freeze-dried samples were extracted with 50 ul of 80% MeOH containing 2.5 mM lidocaine per mg dry weight using a mixer mill (MM300, Retsch) with zirconia beads for 10 min at 20 Hz and 4 ℃.
Extract cleanup and/or Additional manipulation After centrifugation for 10 min, the supernatant was filtered using an HLB mElution plate (Waters).
Extract storage and/or relocate not storaged
Chromatography instrument description LC, Agilent 1200 series
Separation column and pre/guard column column, Xselect CSH C18 (3.5 mm, 2.1 mm ' 150 mm, Waters)
Separation parameter solvent system, solvent A (water with 0.1% formic acid) and solvent B (acetonitrile with 0.1% formic acid)
Instrument description Bruker Daltonics solariX 7.0 T)
Sample introduction and delivery From LC
Ionization source ESI positive. capillary, 4500 V; end plate offset, -500 V; dry gas 4.0 L/min,; dry temp, 200 C; nebulizer, 2.0 bar; average spectra, 1; source accumulation, 0.01 sec; ion accumulation time, 0.001 sec; ion cooling time, 0.01 sec; time of flight 0.500 ms.
Mass analyzer description and acquisition mode quadrupole quadrupole FTICR
Data acquisition parameters detection mode: scan (m/z 100–1500; transient length: 2.0 s; profile).
Data file format NetCDF
Data proccessing software DataAnalysis 4.0 (Bruker Daltonik GmbH)
Data proccessing parameters Peak picking was performed using the theoretical mass difference (1.99579 ± 0.001 Da) between 32S-monoisotopic ions and their 34S-substituted counterparts. The elemental composition and theoretical ion patterns were calculated using SmartFormula and SmartFormula 3D with the following limiting conditions: <1 ppm; C0-50H0-100N0-5O0-50S0-5; charge, 1.
Table.HIFI_002 Metadata
Tag Data
Author Dr. Ryo Nakabayashi
Institute RIKEN CSRS, Japan
Date of data recording 2013/2/26
Species Allium cepa
Genotype no information
Organ bulb
Growth support Onion plants were grown under 12CO2 (1.1 atom% 13C) or 13CO2 (97 atom% 13C)
Growth location Closed Growth Chamber
Growth plot design no information
Light light, 600 mmols-1m-2; day/night cycle, 14/10 h
Humidity relative humidity, 75%/85% (day/night)
Temperature 23/15 ℃ (day/night)
Watering regime no information
Nutritional regime hydroponics nutrient solution, Hoagland type
Catalogue number Non-labeled, N-61101; 13C labeled, U-61101
Supplier IsoLife: Droevendaalsesteeg 1, Bldg 107, NL-6708 PB Wageningen
Date(s) of plant establishment no information
Other specific metadata nothing special
Biotic treatment not treated
Abiotic treatment not treated
Intervention treatment not treated
Treatment dose or intensity levels not treated
Treatment time, time intervals and duration before harvest not treated
Harvest date, time no information
Plant growth stage 12 weeks
Metabolism quenching method Freezing with liquid N2
Harvest method After cutting 12-week-old bulbs into 1-cm squares, the samples were immediately frozen with liquid nitrogen and lyophilized at -55 ℃
Sample strage The lyophilized materials were stored at room temperature with silica gel
Reprecate sampling and analyses n=1
Tissue harvesting method Time from tissue resection to liquid N2 freezing was one minute. Tissues were pooled in ependorf tube.
Tissue processing method no processing
Storage condition prior to extraction or further processing The lyophilized materials were stored at room temperature with silica gel
Extraction method The freeze-dried samples were extracted with 50 ul of 80% MeOH containing 2.5 mM lidocaine per mg dry weight using a mixer mill (MM300, Retsch) with zirconia beads for 10 min at 20 Hz and 4 ℃.
Extract cleanup and/or Additional manipulation After centrifugation for 10 min, the supernatant was filtered using an HLB mElution plate (Waters).
Extract storage and/or relocate not storaged
Chromatography instrument description LC, Agilent 1200 series
Separation column and pre/guard column column, Xselect CSH C18 (3.5 mm, 2.1 mm ' 150 mm, Waters)
Separation parameter solvent system, solvent A (water with 0.1% formic acid) and solvent B (acetonitrile with 0.1% formic acid)
Instrument description Bruker Daltonics solariX 7.0 T)
Sample introduction and delivery From LC
Ionization source ESI positive. capillary, 4500 V; end plate offset, -500 V; dry gas 4.0 L/min,; dry temp, 200 C; nebulizer, 2.0 bar; average spectra, 1; source accumulation, 0.01 sec; ion accumulation time, 0.001 sec; ion cooling time, 0.01 sec; time of flight 0.500 ms.
Mass analyzer description and acquisition mode quadrupole quadrupole FTICR
Data acquisition parameters detection mode: scan (m/z 100–1500; transient length: 2.0 s; profile).
Data file format NetCDF
Data proccessing software DataAnalysis 4.0 (Bruker Daltonik GmbH)
Data proccessing parameters Peak picking was performed using the theoretical mass difference (1.99579 ± 0.001 Da) between 32S-monoisotopic ions and their 34S-substituted counterparts. The elemental composition and theoretical ion patterns were calculated using SmartFormula and SmartFormula 3D with the following limiting conditions: <1 ppm; C0-50H0-100N0-5O0-50S0-5; charge, 1.
Table.HIFI_003 Metadata
Tag Data
Author Dr. Ryo Nakabayashi
Institute RIKEN CSRS, Japan
Date of data recording 2013/2/26
Species Allium cepa
Genotype no information
Organ bulb
Growth support no information
Growth location Closed Growth Chamber
Growth plot design no information
Light light, 600 mmols-1m-2; day/night cycle, 14/10 h
Humidity relative humidity, 75%/85% (day/night)
Temperature 23/15 ℃ (day/night)
Watering regime no information
Nutritional regime hydroponics nutrient solution, Hoagland type
Catalogue number Non-labeled, N-61101; 13C labeled, U-61101
Supplier IsoLife: Droevendaalsesteeg 1, Bldg 107, NL-6708 PB Wageningen
Date(s) of plant establishment no information
Other specific metadata nothing special
Biotic treatment not treated
Abiotic treatment not treated
Intervention treatment not treated
Treatment dose or intensity levels not treated
Treatment time, time intervals and duration before harvest not treated
Harvest date, time no information
Plant growth stage 12 weeks
Metabolism quenching method Freezing with liquid N2
Harvest method After cutting 12-week-old bulbs into 1-cm squares, the samples were immediately frozen with liquid nitrogen and lyophilized at -55 ℃
Sample strage The lyophilized materials were stored at room temperature with silica gel
Reprecate sampling and analyses n=1
Tissue harvesting method Time from tissue resection to liquid N2 freezing was one minute. Tissues were pooled in ependorf tube.
Tissue processing method no processing
Storage condition prior to extraction or further processing The lyophilized materials were stored at room temperature with silica gel
Extraction method The freeze-dried samples were extracted with 50 ul of 80% MeOH containing 2.5 mM lidocaine per mg dry weight using a mixer mill (MM300, Retsch) with zirconia beads for 10 min at 20 Hz and 4 ℃.
Extract cleanup and/or Additional manipulation After centrifugation for 10 min, the supernatant was filtered using an HLB mElution plate (Waters).
Extract storage and/or relocate not storaged
Chromatography instrument description LC, Agilent 1200 series
Separation column and pre/guard column column, Xselect CSH C18 (3.5 mm, 2.1 mm ' 150 mm, Waters)
Separation parameter solvent system, solvent A (water with 0.1% formic acid) and solvent B (acetonitrile with 0.1% formic acid)
Instrument description Bruker Daltonics solariX 7.0 T)
Sample introduction and delivery From LC
Ionization source ESI positive. capillary, 4500 V; end plate offset, -500 V; dry gas 4.0 L/min,; dry temp, 200 C; nebulizer, 2.0 bar; average spectra, 1; source accumulation, 0.01 sec; ion accumulation time, 0.001 sec; ion cooling time, 0.01 sec; time of flight 0.500 ms.
Mass analyzer description and acquisition mode quadrupole quadrupole FTICR
Data acquisition parameters Auto MS/MS mode: scan, m/z 53.74–1500.00); and collision energy, 10 V.
Data file format NetCDF
Data proccessing software DataAnalysis 4.0 (Bruker Daltonik GmbH)
Data proccessing parameters Peak picking was performed using the theoretical mass difference (1.99579 ± 0.001 Da) between 32S-monoisotopic ions and their 34S-substituted counterparts. The elemental composition and theoretical ion patterns were calculated using SmartFormula and SmartFormula 3D with the following limiting conditions: <1 ppm; C0-50H0-100N0-5O0-50S0-5; charge, 1.
Table.HIFI_004 Metadata
Tag Data
Author Dr. Ryo Nakabayashi
Institute RIKEN CSRS, Japan
Date of data recording 2013/2/26
Species Allium sativum
Genotype no information
Organ bulb
Growth support no information
Growth location no information
Growth plot design no information
Light no information
Humidity no information
Temperature no information
Watering regime no information
Nutritional regime no information
Catalogue number no information
Supplier a supermarket in Tokyo, Japan
Date(s) of plant establishment no information
Other specific metadata no information
Biotic treatment no information
Abiotic treatment no information
Intervention treatment no information
Treatment dose or intensity levels no information
Treatment time, time intervals and duration before harvest no information
Harvest date, time no information
Plant growth stage no information
Metabolism quenching method Freezing with liquid N2
Harvest method After slicing a bulb, the samples were immediately frozen with liquid nitrogen and lyophilized at -55 ℃.
Sample strage The lyophilized materials were stored at room temperature with silica gel.
Reprecate sampling and analyses n=1
Tissue harvesting method Time from tissue resection to liquid N2 freezing was one minute. Tissues were pooled in ependorf tube.
Tissue processing method no processing
Storage condition prior to extraction or further processing The lyophilized materials were stored at room temperature with silica gel
Extraction method The freeze-dried samples were extracted with 50 ul of 80% MeOH containing 2.5 mM lidocaine per mg dry weight using a mixer mill (MM300, Retsch) with zirconia beads for 10 min at 20 Hz and 4 ℃.
Extract cleanup and/or Additional manipulation After centrifugation for 10 min, the supernatant was filtered using an HLB μElution plate (Waters).
Extract storage and/or relocate not storaged
Chromatography instrument description LC, Agilent 1200 series
Separation column and pre/guard column column, Xselect CSH C18 (3.5 mm, 2.1 mm ' 150 mm, Waters)
Separation parameter solvent system, solvent A (water with 0.1% formic acid) and solvent B (acetonitrile with 0.1% formic acid)
Instrument description Bruker Daltonics solariX 7.0 T)
Sample introduction and delivery From LC
Ionization source ESI positive. capillary, 4500 V; end plate offset, -500 V; dry gas 4.0 L/min,; dry temp, 200 C; nebulizer, 2.0 bar; average spectra, 1; source accumulation, 0.01 sec; ion accumulation time, 0.001 sec; ion cooling time, 0.01 sec; time of flight 0.500 ms.
Mass analyzer description and acquisition mode quadrupole quadrupole FTICR
Data acquisition parameters detection mode: MS scan (m/z 100–1500; transient length: 2.0 s; profile); and Auto MS/MS scan (m/z 53.74–1500.00)
Data file format NetCDF
Data proccessing software HIFI (http://spectra.psc.riken.jp/menta.cgi/hifi/index)
Data proccessing parameters Peak picking was performed using the theoretical mass difference (1.99579 ± 0.001 Da) between 32S-monoisotopic ions and their 34S-substituted counterparts. The elemental composition and theoretical ion patterns were calculated using SmartFormula with the following limiting conditions: <1 ppm; C0-50H0-100N0-5O0-50S0-5; charge, 1.
Table.HIFI_005 Metadata
Tag Data
Author Dr. Ryo Nakabayashi
Institute RIKEN CSRS, Japan
Date of data recording 2013/2/26
Species Allium sativum
Genotype no information
Organ bulb
Growth support no information
Growth location no information
Growth plot design no information
Light no information
Humidity no information
Temperature no information
Watering regime no information
Nutritional regime no information
Catalogue number no information
Supplier a supermarket in Tokyo, Japan
Date(s) of plant establishment no information
Other specific metadata no information
Biotic treatment no information
Abiotic treatment no information
Intervention treatment no information
Treatment dose or intensity levels no information
Treatment time, time intervals and duration before harvest no information
Harvest date, time no information
Plant growth stage no information
Metabolism quenching method Freezing with liquid N2
Harvest method After slicing a bulb, the samples were immediately frozen with liquid nitrogen and lyophilized at -55 ℃.
Sample strage The lyophilized materials were stored at room temperature with silica gel.
Reprecate sampling and analyses n=1
Tissue harvesting method Time from tissue resection to liquid N2 freezing was one minute. Tissues were pooled in ependorf tube.
Tissue processing method no processing
Storage condition prior to extraction or further processing The lyophilized materials were stored at room temperature with silica gel
Extraction method The freeze-dried samples were extracted with 50 ul of 80% MeOH containing 2.5 mM lidocaine per mg dry weight using a mixer mill (MM300, Retsch) with zirconia beads for 10 min at 20 Hz and 4 ℃.
Extract cleanup and/or Additional manipulation After centrifugation for 10 min, the supernatant was filtered using an HLB μElution plate (Waters).
Extract storage and/or relocate not storaged
Chromatography instrument description LC, Agilent 1200 series
Separation column and pre/guard column column, Xselect CSH C18 (3.5 mm, 2.1 mm ' 150 mm, Waters)
Separation parameter solvent system, solvent A (water with 0.1% formic acid) and solvent B (acetonitrile with 0.1% formic acid)
Instrument description Bruker Daltonics solariX 7.0 T)
Sample introduction and delivery From LC
Ionization source ESI positive. capillary, 4500 V; end plate offset, -500 V; dry gas 4.0 L/min,; dry temp, 200 C; nebulizer, 2.0 bar; average spectra, 1; source accumulation, 0.01 sec; ion accumulation time, 0.001 sec; ion cooling time, 0.01 sec; time of flight 0.500 ms.
Mass analyzer description and acquisition mode quadrupole quadrupole FTICR
Data acquisition parameters detection mode: MS scan (m/z 100–1500; transient length: 2.0 s; profile); and Auto MS/MS scan (m/z 53.74–1500.00)
Data file format NetCDF
Data proccessing software HIFI (http://spectra.psc.riken.jp/menta.cgi/hifi/index)
Data proccessing parameters Peak picking was performed using the theoretical mass difference (1.99579 ± 0.001 Da) between 32S-monoisotopic ions and their 34S-substituted counterparts. The elemental composition and theoretical ion patterns were calculated using SmartFormula with the following limiting conditions: <1 ppm; C0-50H0-100N0-5O0-50S0-5; charge, 1.
Table.HIFI_006 Metadata
Tag Data
Author Dr. Ryo Nakabayashi
Institute RIKEN CSRS, Japan
Date of data recording 2013/10/10
Species Allium fistulosum L. (Bannounegi)
Genotype no information
Organ the whole witiout root
Growth support no information
Growth location no information
Growth plot design no information
Light no information
Humidity no information
Temperature no information
Watering regime no information
Nutritional regime no information
Catalogue number no information
Supplier a supermarket in Tokyo, Japan
Date(s) of plant establishment no information
Other specific metadata no information
Biotic treatment no information
Abiotic treatment no information
Intervention treatment no information
Treatment dose or intensity levels no information
Treatment time, time intervals and duration before harvest no information
Harvest date, time no information
Plant growth stage no information
Metabolism quenching method Freezing with liquid N2
Harvest method After cutting the whole (without a root), the samples immediately frozen with liquid nitrogen and lyophilized at -55 ℃.
Sample strage The lyophilized materials were stored at -80 ℃.
Reprecate sampling and analyses n=1
Tissue harvesting method Time from tissue resection to liquid N2 freezing was one minute. Tissues were pooled in ependorf tube.
Tissue processing method The lyophilized materials were ground using a food mill (IWATANI) for about 2 min.
Storage condition prior to extraction or further processing The lyophilized powder materials were stored at -80 ℃.
Extraction method The freeze-dried samples were extracted with 50 ul of 80% MeOH containing 2.5 mM lidocaine per mg dry weight using a mixer mill (MM300, Retsch) with zirconia beads for 10 min at 20 Hz and 4 ℃.
Extract cleanup and/or Additional manipulation After centrifugation for 10 min, the supernatant was filtered using an HLB μElution plate (Waters).
Extract storage and/or relocate not storaged
Chromatography instrument description LC, Agilent 1200 series
Separation column and pre/guard column column, Xselect CSH C18 (3.5 mm, 2.1 mm ' 150 mm, Waters)
Separation parameter solvent system, solvent A (water with 0.1% formic acid) and solvent B (acetonitrile with 0.1% formic acid)
Instrument description Bruker Daltonics solariX 7.0 T)
Sample introduction and delivery From LC
Ionization source ESI positive. capillary, 4500 V; end plate offset, -500 V; dry gas 4.0 L/min,; dry temp, 200 C; nebulizer, 2.0 bar; average spectra, 1; source accumulation, 0.01 sec; ion accumulation time, 0.001 sec; ion cooling time, 0.01 sec; time of flight 0.500 ms.
Mass analyzer description and acquisition mode quadrupole quadrupole FTICR
Data acquisition parameters detection mode: MS scan (m/z 100–1500; transient length: 2.0 s; profile); and Auto MS/MS scan (m/z 53.74–1500.00)
Data file format NetCDF
Data proccessing software HIFI (http://spectra.psc.riken.jp/menta.cgi/hifi/index)
Data proccessing parameters Peak picking was performed using the theoretical mass difference (1.99579 ± 0.001 Da) and natural abundance (4.29 % ± 5%) between 32S-monoisotopic ions and their 34S-substituted counterparts. The elemental composition and theoretical ion patterns were calculated using SmartFormula with the following limiting conditions: <1 ppm; C0-50H0-100N0-5O0-50S0-5; charge, 1.
Table.HIFI_007 Metadata
Tag Data
Author Dr. Ryo Nakabayashi
Institute RIKEN CSRS, Japan
Date of data recording 2013/10/10
Species Allium fistulosum L. (Bannounegi)
Genotype no information
Organ the whole witiout root
Growth support no information
Growth location no information
Growth plot design no information
Light no information
Humidity no information
Temperature no information
Watering regime no information
Nutritional regime no information
Catalogue number no information
Supplier a supermarket in Tokyo, Japan
Date(s) of plant establishment no information
Other specific metadata no information
Biotic treatment no information
Abiotic treatment no information
Intervention treatment no information
Treatment dose or intensity levels no information
Treatment time, time intervals and duration before harvest no information
Harvest date, time no information
Plant growth stage no information
Metabolism quenching method Freezing with liquid N2
Harvest method After cutting the whole (without a root), the samples immediately frozen with liquid nitrogen and lyophilized at -55 ℃.
Sample strage The lyophilized materials were stored at -80 ℃.
Reprecate sampling and analyses n=1
Tissue harvesting method Time from tissue resection to liquid N2 freezing was one minute. Tissues were pooled in ependorf tube.
Tissue processing method The lyophilized materials were ground using a food mill (IWATANI) for about 2 min.
Storage condition prior to extraction or further processing The lyophilized powder materials were stored at -80 ℃.
Extraction method The freeze-dried samples were extracted with 50 ul of 80% MeOH containing 2.5 mM lidocaine per mg dry weight using a mixer mill (MM300, Retsch) with zirconia beads for 10 min at 20 Hz and 4 ℃.
Extract cleanup and/or Additional manipulation After centrifugation for 10 min, the supernatant was filtered using an HLB μElution plate (Waters).
Extract storage and/or relocate not storaged
Chromatography instrument description LC, Agilent 1200 series
Separation column and pre/guard column column, Xselect CSH C18 (3.5 mm, 2.1 mm ' 150 mm, Waters)
Separation parameter solvent system, solvent A (water with 0.1% formic acid) and solvent B (acetonitrile with 0.1% formic acid)
Instrument description Bruker Daltonics solariX 7.0 T)
Sample introduction and delivery From LC
Ionization source ESI positive. capillary, 4500 V; end plate offset, -500 V; dry gas 4.0 L/min,; dry temp, 200 C; nebulizer, 2.0 bar; average spectra, 1; source accumulation, 0.01 sec; ion accumulation time, 0.001 sec; ion cooling time, 0.01 sec; time of flight 0.500 ms.
Mass analyzer description and acquisition mode quadrupole quadrupole FTICR
Data acquisition parameters detection mode: MS scan (m/z 100–1500; transient length: 2.0 s; profile); and Auto MS/MS scan (m/z 53.74–1500.00)
Data file format NetCDF
Data proccessing software HIFI (http://spectra.psc.riken.jp/menta.cgi/hifi/index)
Data proccessing parameters Peak picking was performed using the theoretical mass difference (1.99579 ± 0.001 Da) and natural abundance (4.29 % ± 5%) between 32S-monoisotopic ions and their 34S-substituted counterparts. The elemental composition and theoretical ion patterns were calculated using SmartFormula with the following limiting conditions: <1 ppm; C0-50H0-100N0-5O0-50S0-5; charge, 1.
Table.HIFI_008 Metadata
Tag Data
Author Dr. Ryo Nakabayashi
Institute RIKEN CSRS, Japan
Date of data recording 2013/10/21
Species Allium cepa L.
Genotype no information
Organ bulb
Growth support no information
Growth location Hokkaido, Japan
Growth plot design no information
Light no information
Humidity no information
Temperature no information
Watering regime no information
Nutritional regime no information
Catalogue number no information
Supplier a supermarket in Tokyo, Japan
Date(s) of plant establishment no information
Other specific metadata no information
Biotic treatment no information
Abiotic treatment no information
Intervention treatment no information
Treatment dose or intensity levels no information
Treatment time, time intervals and duration before harvest no information
Harvest date, time no information
Plant growth stage no information
Metabolism quenching method Freezing with liquid N2
Harvest method After slicing a bulb, the samples were immediately frozen with liquid nitrogen and lyophilized at -55 ℃.
Sample strage The lyophilized materials were stored at -80 ℃.
Reprecate sampling and analyses n=1
Tissue harvesting method Time from tissue resection to liquid N2 freezing was one minute. Tissues were pooled in tube.
Tissue processing method The lyophilized materials were ground using a food mill (IWATANI) for about 2 min.
Storage condition prior to extraction or further processing The lyophilized powder materials were stored at -80 ℃.
Extraction method The freeze-dried samples were extracted with 50 ml of 80% MeOH containing 2.5 mM lidocaine per mg dry weight using a mixer mill (MM300, Retsch) with zirconia beads for 10 min at 20 Hz and 4 ℃.
Extract cleanup and/or Additional manipulation After centrifugation for 10 min, the supernatant was filtered using an HLB μElution plate (Waters).
Extract storage and/or relocate not storaged
Chromatography instrument description LC, Agilent 1200 series
Separation column and pre/guard column column, Xselect CSH C18 (3.5 mm, 2.1 mm ' 150 mm, Waters)
Separation parameter solvent system, solvent A (water with 0.1% formic acid) and solvent B (acetonitrile with 0.1% formic acid)
Instrument description Bruker Daltonics solariX 7.0 T)
Sample introduction and delivery From LC
Ionization source ESI positive. capillary, 4500 V; end plate offset, -500 V; dry gas 4.0 L/min,; dry temp, 200 C; nebulizer, 2.0 bar; average spectra, 1; source accumulation, 0.01 sec; ion accumulation time, 0.001 sec; ion cooling time, 0.01 sec; time of flight 0.500 ms.
Mass analyzer description and acquisition mode quadrupole quadrupole FTICR
Data acquisition parameters detection mode: MS scan (m/z 100–1500; transient length: 2.0 s; profile); and Auto MS/MS scan (m/z 53.74–1500.00)
Data file format NetCDF
Data proccessing software HIFI (http://spectra.psc.riken.jp/menta.cgi/hifi/index)
Data proccessing parameters Peak picking was performed using the theoretical mass difference (1.99579 ± 0.001 Da) and natural abundance (4.29 % ± 5%) between 32S-monoisotopic ions and their 34S-substituted counterparts. The elemental composition and theoretical ion patterns were calculated using SmartFormula with the following limiting conditions: <1 ppm; C0-50H0-100N0-5O0-50S0-5; charge, 1.
Table.HIFI_009 Metadata
Tag Data
Author Dr. Ryo Nakabayashi
Institute RIKEN CSRS, Japan
Date of data recording 2013/10/21
Species Allium cepa L.
Genotype no information
Organ bulb
Growth support no information
Growth location Hokkaido, Japan
Growth plot design no information
Light no information
Humidity no information
Temperature no information
Watering regime no information
Nutritional regime no information
Catalogue number no information
Supplier a supermarket in Tokyo, Japan
Date(s) of plant establishment no information
Other specific metadata no information
Biotic treatment no information
Abiotic treatment no information
Intervention treatment no information
Treatment dose or intensity levels no information
Treatment time, time intervals and duration before harvest no information
Harvest date, time no information
Plant growth stage no information
Metabolism quenching method Freezing with liquid N2
Harvest method After slicing a bulb, the samples were immediately frozen with liquid nitrogen and lyophilized at -55 ℃.
Sample strage The lyophilized materials were stored at -80 ℃.
Reprecate sampling and analyses n=1
Tissue harvesting method Time from tissue resection to liquid N2 freezing was one minute. Tissues were pooled in tube.
Tissue processing method The lyophilized materials were ground using a food mill (IWATANI) for about 2 min.
Storage condition prior to extraction or further processing The lyophilized powder materials were stored at -80 ℃.
Extraction method The freeze-dried samples were extracted with 50 ml of 80% MeOH containing 2.5 mM lidocaine per mg dry weight using a mixer mill (MM300, Retsch) with zirconia beads for 10 min at 20 Hz and 4 ℃.
Extract cleanup and/or Additional manipulation After centrifugation for 10 min, the supernatant was filtered using an HLB μElution plate (Waters).
Extract storage and/or relocate not storaged
Chromatography instrument description LC, Agilent 1200 series
Separation column and pre/guard column column, Xselect CSH C18 (3.5 mm, 2.1 mm ' 150 mm, Waters)
Separation parameter solvent system, solvent A (water with 0.1% formic acid) and solvent B (acetonitrile with 0.1% formic acid)
Instrument description Bruker Daltonics solariX 7.0 T)
Sample introduction and delivery From LC
Ionization source ESI positive. capillary, 4500 V; end plate offset, -500 V; dry gas 4.0 L/min,; dry temp, 200 C; nebulizer, 2.0 bar; average spectra, 1; source accumulation, 0.01 sec; ion accumulation time, 0.001 sec; ion cooling time, 0.01 sec; time of flight 0.500 ms.
Mass analyzer description and acquisition mode quadrupole quadrupole FTICR
Data acquisition parameters detection mode: MS scan (m/z 100–1500; transient length: 2.0 s; profile); and Auto MS/MS scan (m/z 53.74–1500.00)
Data file format NetCDF
Data proccessing software HIFI (http://spectra.psc.riken.jp/menta.cgi/hifi/index)
Data proccessing parameters Peak picking was performed using the theoretical mass difference (1.99579 ± 0.001 Da) and natural abundance (4.29 % ± 5%) between 32S-monoisotopic ions and their 34S-substituted counterparts. The elemental composition and theoretical ion patterns were calculated using SmartFormula with the following limiting conditions: <1 ppm; C0-50H0-100N0-5O0-50S0-5; charge, 1.

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