ACCESSION: MSBNK-RIKEN_ReSpect-PS005302
RECORD_TITLE: L-Methionine, L-Met, L-Lobamine, (S)-2-Amino-4-(methylmercapto)butyric acid, L-2-Amino-4-methylmercaptobutyric Acid, L-a-Amino-g-methylthiobutyric 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, 135-01601.
COMMENT: PRIMe compound in-house ID 53
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$NAME: L-Methionine
CH$NAME: L-Met
CH$NAME: L-Lobamine
CH$NAME: (S)-2-Amino-4-(methylmercapto)butyric acid
CH$NAME: L-2-Amino-4-methylmercaptobutyric Acid
CH$NAME: L-a-Amino-g-methylthiobutyric acid
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Methionine
CH$FORMULA: C₅H₁₁NO₂S
CH$EXACT_MASS: 149.213
CH$SMILES: CSCCC(C(=O)O)N
CH$IUPAC: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
CH$LINK: CAS 63-68-3
CH$LINK: KEGG C00073
CH$LINK: PUBCHEM CID:6137
CH$LINK: INCHIKEY FFEARJCKVFRZRR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9020821

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 20

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 150.14

PK$SPLASH: splash10-0zfr-8900000000-02563f367c7cb37b85fe
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  55.0 24128.0 199
  56.0 120952.0 999
  60.0 11500.0 95
  61.0 40082.0 331
  74.0 17382.0 144
  84.0 5227.0 43
  87.0 8267.0 68
  101.0 8734.0 72
  102.0 30197.0 249
  103.0 18064.0 149
  104.0 112179.0 927
  132.0 13018.0 108
  133.0 35010.0 289
  149.0 10883.0 90
  150.0 26849.0 222
//