MassBank Record: MSBNK-RIKEN_ReSpect-PT206130
ACCESSION: MSBNK-RIKEN_ReSpect-PT206130
RECORD_TITLE: L-beta-homoserine, (R)-3-Amino-4-hydroxybutyric acid, (3R)-3-amino-4-hydroxybutanoic acid; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.
CH$NAME: L-beta-homoserine
CH$NAME: (R)-3-Amino-4-hydroxybutyric acid
CH$NAME: (3R)-3-amino-4-hydroxybutanoic acid
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Serine
CH$FORMULA: C4H9NO3
CH$EXACT_MASS: 119.12
CH$SMILES: C(C(CO)N)C(=O)O
CH$IUPAC: InChI=1S/C4H9NO3/c5-3(2-6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)
CH$LINK: CAS
16504-56-6
CH$LINK: INCHIKEY
BUZICZZQJDLXJN-UHFFFAOYSA-N
AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O
MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 118.05044
PK$SPLASH: splash10-014i-2900000000-3706cc2bba472e2a8f6c
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
72.0478 3.937 157
74.0623 2.557 102
83.0161 3.923 157
100.0414 9.736 389
118.0504 25.0 999
//