ACCESSION: MSBNK-RIKEN_ReSpect-PS005303
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 30

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

PK$SPLASH: splash10-0bt9-9000000000-3decd1f73b4719e7851f
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  28.0 4650.0 43
  55.0 28677.0 264
  56.0 108378.0 999
  60.0 19351.0 178
  61.0 79182.0 730
  74.0 11386.0 105
  87.0 6059.0 56
  102.0 6225.0 57
  103.0 3377.0 31
  104.0 12455.0 115
//