MassBank Record: MSBNK-RIKEN_ReSpect-PS005302
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
//