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MassBank Record: PS062801

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

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

ACCESSION: PS062801
RECORD_TITLE: L-Homoserine, HoSer, (S)-2-Amino-4-hydroxybutyric acid, Hse, 2-Amino-4-hydroxybutanoic acid; LC-ESI-QQ; MS2
DATE: 2009.02.09
AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
LICENSE: CC-BY-NC
COPYRIGHT: Copyright(C) 2008 Plant Science Center, RIKEN
PUBLICATION: Sawada, Y.; Akiyama, K.; Sakata, A.; Kuwahara, A.; Otsuki, H.; Sakurai, T.; Saito, K.; Hirai, M. Y. Widely Targeted Metabolomics Based on Large-Scale MS/MS Data for Elucidating Metabolite Accumulation Patterns in Plants. Plant and Cell Physiology 2008, 50 (1), 37–47. DOI:10.1093/pcp/pcn183
COMMENT: Build 5
COMMENT: Data acquisition and generation is financially supported in part by CREST/JST.
COMMENT: Source compound Wako, 080-04121.
COMMENT: PRIMe compound in-house ID S0010
COMMENT: This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENT: The spectral data and services are available to the research and academic community only.
COMMENT: All users must cite follwing literature in publication(s).

CH$NAME: L-Homoserine
CH$NAME: HoSer
CH$NAME: (S)-2-Amino-4-hydroxybutyric acid
CH$NAME: Hse
CH$NAME: 2-Amino-4-hydroxybutanoic acid
CH$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: KEGG C00263
CH$LINK: PUBCHEM CID:12647
CH$LINK: INCHIKEY UKAUYVFTDYCKQA-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 120.09

PK$SPLASH: splash10-00di-2900000000-cd4fb186b5191dc836d3
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  73.0 44084.0 57
  74.0 213188.0 276
  102.0 31166.0 40
  119.0 129183.0 167
  120.0 770686.0 999
//

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