MassBank Record: KO003336

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L-Methionine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003336
RECORD_TITLE: L-Methionine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M003

CH$NAME: Met
CH$NAME: L-2-Amino-4methylthiobutyric acid
CH$NAME: L-Methionine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H11NO2S
CH$EXACT_MASS: 149.051050000000003592504072003066539764404296875
CH$SMILES: N[C@@H](CCSC)C(O)=O
CH$IUPAC: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
CH$LINK: CAS 63-68-3
CH$LINK: CHEBI 16643
CH$LINK: CHEMPDB MET
CH$LINK: COMPTOX DTXSID5040548
CH$LINK: INCHIKEY FFEARJCKVFRZRR-BYPYZUCNSA-N
CH$LINK: KEGG C00073
CH$LINK: NIKKAJI J9.174J
CH$LINK: PUBCHEM SID:3373

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 150
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03di-9000000000-d720c878a420ba3db7c6
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  35.200 39604.0 13
  38.800 29703.0 10
  43.900 64356.5 21
  45.200 49505.0 16
  53.100 29703.0 10
  55.000 84158.5 27
  56.200 1351486.5 433
  61.100 3118815.0 999
  72.000 207921.0 67
  73.900 79208.0 25
  88.500 9901.0 3
  92.700 9901.0 3
  116.800 29703.0 10
//