MassBank Record: KO003335

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L-Methionine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO003335
RECORD_TITLE: L-Methionine; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-03di-9000000000-e133c47b0efe4992589f
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  38.800 19802.0 2
  40.700 79208.0 8
  43.100 64356.5 6
  44.400 74257.5 7
  44.900 326733.0 32
  45.700 64356.5 6
  53.100 79208.0 8
  55.300 237624.0 23
  56.100 4762381.0 460
  57.100 94059.5 9
  59.000 148515.0 14
  61.000 10341594.5 999
  69.100 79208.0 8
  70.600 29703.0 3
  72.000 188119.0 18
  73.000 94059.5 9
  73.900 871288.0 84
  75.200 74257.5 7
  78.800 54455.5 5
  84.200 133663.5 13
  85.300 103960.5 10
  86.000 59406.0 6
  87.200 282178.5 27
  90.900 118812.0 11
  102.300 64356.5 6
  104.300 24752.5 2
  105.000 29703.0 3
  116.800 103960.5 10
  120.000 9901.0 1
//