ACCESSION: MSBNK-RIKEN_ReSpect-PS062803
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 30

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

PK$SPLASH: splash10-0abc-9000000000-ba4d7bb3504ee0ddc079
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  28.0 1995.0 45
  30.0 2280.0 52
  43.0 3565.0 81
  44.0 38339.0 868
  55.0 4341.0 98
  56.0 44130.0 999
  73.0 6692.0 151
  74.0 30265.0 685
  119.0 1968.0 45
//