alpha-L-(-)-Fucose 1-phosphate bis(cyclohexylammonium) salt ; MS2; QqQ; positive; CE 10 V

2009.2.9 Copyright(C) 2008 Plant Science Center, RIKEN

Record Data

Tag Sub Tag Data
ACCESSION PS123201
RECORD_TITLE alpha-L-(-)-Fucose 1-phosphate bis(cyclohexylammonium) salt ; MS2; QqQ; positive; CE 10 V
DATE 2009.2.9
AUTHORS Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
COPYRIGHT Copyright(C) 2008 Plant Science Center, RIKEN
COMMENTS Build 5
COMMENTS Data acquisition and generation is financially supported in part by CREST/JST.
COMMENTS Source compound SIGMA, F1759.
COMMENTS PRIMe compound in-house ID V0106
COMMENTS This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENTS The spectral data and services are available to the research and academic community only.
COMMENTS All users must cite follwing literature in publication(s).
PUBLICATION Sawada et al Widely targeted metabolomics based on large-scale MS/MS data for elucidating metabolite accumulation patterns in plants. Plant Cell Physiol(2009) 50:37-47:doi:10.1093/pcp/pcn183
STRUCTURE_FILE_NAME N/A
CH$ NAME alpha-L-(-)-Fucose 1-phosphate bis(cyclohexylammonium) salt
CH$ NAME alpha-Fuc-1P
CH$ NAME alpha-Fucopyranosyl phosphate
CH$ NAME 6-Deoxy-alpha-L-galactose phosphate
CH$ COMPOUND_CLASS CLASS1 Other
CH$ COMPOUND_CLASS CLASS2 Suger phosphate
CH$ COMPOUND_CLASS CLASS3 Galactose phosphate
CH$ FORMULA C6H13O8P
CH$ EXACT_MASS 244.034
CH$ LINK CAS 24333-03-7
CH$ LINK KEGG -
CH$ LINK PUBCHEM CID 439397 LinkIcon
CH$ SMILES CC1C(C(C(C(O1)OP(=O)(O)O)O)O)O
CH$ INCHI InChI=1/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/t2-,3+,4+,5-,6-/m0/s1/f/h10-11H
CH$ IUPAC [(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] dihydrogen phosphate
AC$ INSTRUMENT TQD, Waters
AC$ INSTRUMENT_TYPE N/A
AC$ ANALYTICAL_CONDITION MS_TYPE Flow-injection QqQ/MS
AC$ ANALYTICAL_CONDITION IONIZATION ESI
AC$ ANALYTICAL_CONDITION PRECURSOR_SELECTION Q
AC$ ANALYTICAL_CONDITION FRAGMENTATION_EQUIPMENT Q
AC$ ANALYTICAL_CONDITION FRAGMENTATION_METHOD LOW-ENERGY CID
AC$ ANALYTICAL_CONDITION COLLISION_ENERGY 10
AC$ ANALYTICAL_CONDITION SPECTRUM_TYPE Q
AC$ ANALYTICAL_CONDITION DATAFORMAT CENTROID
AC$ ANALYTICAL_CONDITION MODE POSITIVE
MS$ FOCUSED_ION ION_TYPE [M+H]+
MS$ FOCUSED_ION PRECURSOR_M/Z 245.24
PK$ NUM_PEAK 7
PK$ PEAK m/z int. rel.int.
[-] m/z
[-] Intensity
[-] Relative intensity
75
3457
48
98
11065
155
99
70878
999
128
3883
54
129
14854
209
147
4883
68
245
4235
59

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