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MassBank Record: KO002193

N-Acetylmethionine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO002193
RECORD_TITLE: N-Acetylmethionine; 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 A065

CH$NAME: N-Acetylmethionine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H13NO3S
CH$EXACT_MASS: 191.06161
CH$SMILES: CSCC[C@H](NC(C)=O)C(O)=O
CH$IUPAC: InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1
CH$LINK: CAS 65-82-7
CH$LINK: KEGG C02712
CH$LINK: NIKKAJI J4.840B
CH$LINK: PUBCHEM SID:5675
CH$LINK: INCHIKEY XUYPXLNMDZIRQH-LURJTMIESA-N
CH$LINK: COMPTOX DTXSID00883214

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$FOCUSED_ION: PRECURSOR_M/Z 192
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-0900000000-4826c0abe069970d9768
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  39.100 168317.0 8
  63.300 24752.5 1
  71.000 64356.5 3
  74.000 2480200.5 120
  78.000 336634.0 16
  83.300 14851.5 1
  97.900 311881.5 15
  99.100 113861.5 6
  101.000 336634.0 16
  101.700 54455.5 3
  104.100 1683170.0 82
  113.000 74257.5 4
  115.400 188119.0 9
  117.400 133663.5 6
  119.100 1410892.5 68
  122.200 49505.0 2
  124.400 69307.0 3
  128.800 24752.5 1
  132.000 133663.5 6
  133.000 108911.0 5
  133.800 24752.5 1
  138.100 64356.5 3
  139.000 69307.0 3
  142.800 594060.0 29
  144.200 6702977.0 325
  146.300 5029708.0 244
  150.100 3138617.0 152
  155.800 44554.5 2
  157.400 475248.0 23
  160.200 643565.0 31
  162.400 24752.5 1
  174.100 6762383.0 328
  175.100 6816838.5 331
  178.400 94059.5 5
  192.300 20603981.0 999
//

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