ACCESSION: MSBNK-Keio_Univ-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: KEGG C03145
CH$LINK: INCHIKEY PYUSHNKNPOHWEZ-YFKPBYRVSA-N
CH$LINK: COMPTOX DTXSID80863357

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.
  50.100 69307.0 14
  73.700 69307.0 14
  77.900 504951.0 102
  86.800 188119.0 38
  98.700 39604.0 8
  101.000 232673.5 47
  103.800 356436.0 72
  105.300 39604.0 8
  109.700 19802.0 4
  115.400 69307.0 14
  117.300 69307.0 14
  118.200 103960.5 21
  127.700 44554.5 9
  128.800 1896041.5 381
  130.200 495050.0 100
  132.300 49505.0 10
  133.300 163366.5 33
  142.900 262376.5 53
  144.300 39604.0 8
  146.400 1128714.0 227
  150.400 1569308.5 316
  160.100 579208.5 117
  161.200 4965351.5 999
  178.100 1970299.0 396
//