ACCESSION: MSBNK-Keio_Univ-KO002905
RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-0fc0-2900000000-ca29f2380d125436464f
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  45.700 14851.5 8
  50.400 89109.0 50
  56.000 108911.0 61
  59.000 39604.0 22
  61.100 128713.0 72
  69.300 153465.5 86
  71.300 19802.0 11
  73.800 99010.0 56
  78.600 19802.0 11
  82.800 59406.0 33
  84.100 475248.0 267
  85.300 69307.0 39
  87.200 326733.0 184
  88.400 34653.5 19
  90.100 9901.0 6
  97.000 34653.5 19
  100.800 1094060.5 615
  101.900 143564.5 81
  104.200 594060.0 334
  107.200 49505.0 28
  111.200 64356.5 36
  115.300 79208.0 45
  117.200 49505.0 28
  124.800 24752.5 14
  125.500 24752.5 14
  129.100 1777229.5 999
  130.000 504951.0 284
  131.900 44554.5 25
  133.100 242574.5 136
  143.300 64356.5 36
  146.200 752476.0 423
  150.300 173267.5 97
  161.100 292079.5 164
  178.400 74257.5 42
//