MassBank Record: KO002904

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N-Formyl-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: KO002904
RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID F034

CH$NAME: N-Formylmethionine
CH$NAME: N-Formyl-L-Methionine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H11NO3S
CH$EXACT_MASS: 177.04596
CH$SMILES: [H]C(=O)N[C@@H](CCSC)C(O)=O
CH$IUPAC: InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1
CH$LINK: COMPTOX DTXSID80863357
CH$LINK: INCHIKEY PYUSHNKNPOHWEZ-YFKPBYRVSA-N
CH$LINK: KEGG C03145

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$FOCUSED_ION: PRECURSOR_M/Z 178
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03fr-0900000000-6cef5cfd02af4e4f5603
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  50.1 69307.0 14.0
  73.7 69307.0 14.0
  77.9 504951.0 102.0
  86.8 188119.0 38.0
  98.7 39604.0 8.0
  101.0 232674.0 47.0
  103.8 356436.0 72.0
  105.3 39604.0 8.0
  109.7 19802.0 4.0
  115.4 69307.0 14.0
  117.3 69307.0 14.0
  118.2 103960.0 21.0
  127.7 44554.5 9.0
  128.8 1896040.0 381.0
  130.2 495050.0 100.0
  132.3 49505.0 10.0
  133.3 163366.0 33.0
  142.9 262376.0 53.0
  144.3 39604.0 8.0
  146.4 1128710.0 227.0
  150.4 1569310.0 316.0
  160.1 579208.0 117.0
  161.2 4965350.0 999.0
  178.1 1970300.0 396.0
//