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delta-Aminolevulinic acid hydrochloride; MS2; Q-Tof; [M-H]-
2008.7.28 Copyright(C) 2009 Plant Science Center, RIKEN
Record Data
Tag | Sub Tag | Data |
---|---|---|
ACCESSION | PT203910 | |
RECORD_TITLE | delta-Aminolevulinic acid hydrochloride; MS2; Q-Tof; [M-H]- | |
DATE | 2008.7.28 | |
AUTHORS | Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN. | |
COPYRIGHT | Copyright(C) 2009 Plant Science Center, RIKEN | |
COMMENTS | Build 1 2009/06/24 | |
COMMENTS | Acquisition and generation of the data is financially supported in part by CREST/JST. | |
STRUCTURE_FILE_NAME | N/A | |
CH$ NAME | delta-Aminolevulinic acid hydrochloride | |
CH$ NAME | ALA | |
CH$ NAME | 5-Aminolevulinate | |
CH$ NAME | 5-Amino-4-oxopentanoic acid | |
CH$ NAME | 5-Amino-4-oxopentanoate | |
CH$ NAME | 5-Aminolaevulinic acid | |
CH$ NAME | Levulan | |
CH$ NAME | Kerastick | |
CH$ NAME | Aladerm | |
CH$ NAME | 5-amino-4-oxopentanoic acid | |
CH$ COMPOUND_CLASS | CLASS1 | Other |
CH$ COMPOUND_CLASS | CLASS2 | Carboxylic acid |
CH$ COMPOUND_CLASS | CLASS3 | Levulinic acid |
CH$ FORMULA | C5H9NO3 | |
CH$ EXACT_MASS | 131.13 | |
CH$ LINK | CAS | 106-60-5 |
CH$ SMILES | C(CC(=O)O)C(=O)CN | |
CH$ IUPAC | InChI=1/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)/f/h8H | |
AC$ INSTRUMENT | Q-Tof Premier, Waters | |
AC$ INSTRUMENT_TYPE | N/A | |
AC$ ANALYTICAL_CONDITION | MS_TYPE | LC-Q-TOF/MS |
AC$ ANALYTICAL_CONDITION | IONIZATION | ESI |
AC$ ANALYTICAL_CONDITION | SOURCE_TEMPERATURE | 120 C |
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 | Ramp 5-45 V |
AC$ ANALYTICAL_CONDITION | SPECTRUM_TYPE | TOF |
AC$ ANALYTICAL_CONDITION | DATAFORMAT | Continuum |
AC$ ANALYTICAL_CONDITION | SOLVENT | CH3CN/H2O |
AC$ ANALYTICAL_CONDITION | MODE | NEGATIVE |
AC$ ANALYTICAL_CONDITION | CAPILLARY_VOLTAGE | 3.0 kV |
AC$ ANALYTICAL_CONDITION | SAMPLING_CONE | 35.0 V |
MS$ FOCUSED_ION | ION_TYPE | [M-H]- |
MS$ FOCUSED_ION | PRECURSOR_M/Z | 130.05044 |
PK$ NUM_PEAK | 2 | |
PK$ PEAK |
m/z int. rel.int. ![]() ![]() ![]()
112.039
10.21
223
130.0504
45.61
999
|