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MassBank Record: KO003060

Homoserine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO003060
RECORD_TITLE: Homoserine; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-00di-9100000000-422851033dffe854f591
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  43.800 49505.0 29
  56.200 316832.0 183
  60.100 59406.0 34
  61.200 84158.5 49
  61.900 207921.0 120
  74.000 1732675.0 999
  84.100 54455.5 31
  85.000 193069.5 111
  88.100 297030.0 171
  101.800 158416.0 91
  102.900 153465.5 88
  120.300 242574.5 140
//

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