ACCESSION: MSBNK-RIKEN_ReSpect-PT100530
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, (2S)-2-amino-4-methylsulfanylbutanoic acid; LC-ESI-QTOF; MS2
DATE: 2008.07.24
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

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$NAME: (2S)-2-amino-4-methylsulfanylbutanoic acid
CH$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: INCHIKEY FFEARJCKVFRZRR-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 150.05885

PK$SPLASH: splash10-0udi-0900000000-e0dd5ff44b7962f6a2d2
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
104.0509 55.27 61
150.0545 903.0 999
//