MassBank Record: PB000443



 Methionine; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000443
RECORD_TITLE: Methionine; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.01.02, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 259
COMMENT: CONFIDENCE: confident structure

CH$NAME: Methionine CH$NAME: 2-amino-4-methylsulfanylbutanoic acid CH$COMPOUND_CLASS: Natural Product; amino acid CH$FORMULA: C5H11NO2S CH$EXACT_MASS: 149.05105 CH$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: INCHIKEY FFEARJCKVFRZRR-UHFFFAOYSA-N CH$LINK: KEGG C00073 CH$LINK: PUBCHEM CID:876
AC$INSTRUMENT: API QSTAR Pulsar i AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-08fr-9000000000-56a9aa89915835ec0897 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 44.980 146.915 13 56.051 9257.332 924 58.996 120.518 11 61.012 10000.000 999 74.024 1072.721 106 84.045 332.943 32 85.027 239.688 22 87.027 846.809 83 102.056 356.401 34 104.055 367.673 35 133.033 174.275 16 //