ACCESSION: MSBNK-Keio_Univ-KO002906
RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-0gx0-9600000000-d8211d4ecddfb71549d2
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  45.600 9901.0 12
  55.000 99010.0 120
  56.000 168317.0 203
  59.100 227723.0 275
  60.900 336634.0 407
  68.700 74257.5 90
  71.100 39604.0 48
  73.800 108911.0 132
  84.100 826733.5 999
  86.800 118812.0 144
  88.300 29703.0 36
  101.100 801981.0 969
  102.200 39604.0 48
  114.900 138614.0 167
  128.100 108911.0 132
  129.200 64356.5 78
  130.300 39604.0 48
  143.300 44554.5 54
  146.300 148515.0 179
  149.400 14851.5 18
  161.300 113861.5 138
  162.900 24752.5 30
//