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MassBank Record: KO003334

L-Methionine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO003334
RECORD_TITLE: L-Methionine; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-08fr-9000000000-a2fd1b96dfe93d6f32a0
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  41.200 89109.0 7
  42.800 44554.5 3
  44.000 44554.5 3
  44.700 217822.0 16
  46.000 74257.5 6
  53.300 49505.0 4
  55.000 252475.5 19
  56.200 9579217.5 711
  57.300 94059.5 7
  58.100 34653.5 3
  59.100 173267.5 13
  60.400 128713.0 10
  61.000 13465360.0 999
  68.000 133663.5 10
  69.300 59406.0 4
  71.200 39604.0 3
  72.000 193069.5 14
  73.100 688119.5 51
  74.000 2792082.0 207
  75.100 198020.0 15
  77.000 153465.5 11
  78.400 29703.0 2
  79.000 39604.0 3
  84.200 717822.5 53
  84.900 757426.5 56
  86.100 396040.0 29
  87.000 1732675.0 129
  91.000 272277.5 20
  96.200 29703.0 2
  97.300 44554.5 3
  98.200 9901.0 1
  101.200 69307.0 5
  101.800 920793.0 68
  103.900 618812.5 46
  105.000 128713.0 10
  113.900 84158.5 6
  122.100 34653.5 3
  123.400 24752.5 2
  132.000 79208.0 6
  133.000 267327.0 20
  150.200 69307.0 5
//

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