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MassBank Record: KO003332

L-Methionine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO003332
RECORD_TITLE: L-Methionine; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-0udi-0900000000-c3557cb41fd6fe268819
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  49.400 24752.5 1
  50.100 2366339.0 26
  55.800 158416.0 2
  59.100 94059.5 1
  60.700 59406.0 1
  64.300 89109.0 1
  68.000 188119.0 2
  73.000 1980200.0 22
  73.900 123762.5 1
  75.500 24752.5 1
  75.900 202970.5 2
  76.900 123762.5 1
  78.000 2123764.5 23
  81.900 297030.0 3
  83.100 24752.5 1
  83.800 59406.0 1
  85.100 79208.0 1
  85.400 64356.5 1
  87.000 272277.5 3
  88.100 24752.5 1
  90.200 79208.0 1
  91.700 59406.0 1
  96.400 39604.0 1
  96.900 89109.0 1
  100.000 64356.5 1
  101.000 2420794.5 26
  102.000 2440596.5 27
  104.000 20544575.0 224
  105.400 59406.0 1
  114.300 628713.5 7
  115.300 1504952.0 16
  118.000 554456.0 6
  132.100 3801984.0 41
  133.100 25465372.0 277
  150.200 91712963.0 999
  151.000 29703.0 1
  168.100 39604.0 1
//

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