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MassBank Record: PT206280

L-Homoserine, HoSer, (S)-2-Amino-4-hydroxybutyric acid, Hse, 2-Amino-4-hydroxybutanoic acid, (2S)-2-amino-4-hydroxybutanoic acid; LC-ESI-QTOF; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: PT206280
RECORD_TITLE: L-Homoserine, HoSer, (S)-2-Amino-4-hydroxybutyric acid, Hse, 2-Amino-4-hydroxybutanoic acid, (2S)-2-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$NAME: L-Homoserine
CH$NAME: HoSer
CH$NAME: (S)-2-Amino-4-hydroxybutyric acid
CH$NAME: Hse
CH$NAME: 2-Amino-4-hydroxybutanoic acid
CH$NAME: (2S)-2-amino-4-hydroxybutanoic acid
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Serine
CH$FORMULA: C4H9NO3
CH$EXACT_MASS: 119.12
CH$SMILES: C(CO)C(C(=O)O)N
CH$IUPAC: InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)
CH$LINK: CAS 672-15-1
CH$LINK: INCHIKEY UKAUYVFTDYCKQA-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$SPLASH: splash10-0gb9-1900000000-89eb5226702ae527a2be
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  72.047 7.012 93
  99.0064 10.43 138
  100.0401 44.76 592
  116.0372 3.838 51
  118.0504 75.48 999
//

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