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MassBank Record: KO003333

L-Methionine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO003333
RECORD_TITLE: L-Methionine; LC-ESI-QQ; MS2; CE:20 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: 149.05105
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: KEGG C00073
CH$LINK: NIKKAJI J9.174J
CH$LINK: PUBCHEM SID:3373
CH$LINK: INCHIKEY FFEARJCKVFRZRR-BYPYZUCNSA-N
CH$LINK: COMPTOX DTXSID5040548

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 20 V

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

PK$SPLASH: splash10-0udi-6900000000-6bf5af2d1c561013948a
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  44.900 89109.0 6
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  59.100 143564.5 9
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  67.600 24752.5 2
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  84.200 995050.5 62
  85.000 861387.0 54
  86.200 1094060.5 68
  87.300 2514854.0 157
  88.700 89109.0 6
  89.500 44554.5 3
  91.000 277228.0 17
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  97.000 123762.5 8
  101.000 777228.5 49
  101.800 5950501.0 372
  104.100 15970313.0 999
  105.000 599010.5 37
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  132.100 282178.5 18
  133.100 7826740.5 490
  150.300 1985150.5 124
//

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