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MassBank Record: KO003059

Homoserine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO003059
RECORD_TITLE: Homoserine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID H003

CH$NAME: Homoserine
CH$NAME: 2-Amino-4-hydroxybutyric acid
CH$NAME: L-Homoserine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H9NO3
CH$EXACT_MASS: 119.05824
CH$SMILES: OCC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
CH$LINK: CAS 672-15-1
CH$LINK: CHEBI 15699
CH$LINK: CHEMPDB HSE
CH$LINK: KEGG C00263
CH$LINK: NIKKAJI J9.199E
CH$LINK: PUBCHEM SID:3561
CH$LINK: INCHIKEY UKAUYVFTDYCKQA-VKHMYHEASA-N
CH$LINK: COMPTOX DTXSID5075159

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 120
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00di-5900000000-a5903a71e92a78624d03
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  51.600 14851.5 3
  55.300 212871.5 45
  55.800 143564.5 30
  60.100 49505.0 11
  61.100 178218.0 38
  62.100 821783.0 175
  70.200 34653.5 7
  74.000 1346536.0 286
  84.000 202970.5 43
  85.200 376238.0 80
  88.100 732674.0 156
  102.200 415842.0 88
  102.800 1059407.0 225
  120.100 4702975.0 999
//

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