ACCESSION: MSBNK-Keio_Univ-KO000801
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 176
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0002-9000000000-4f909deb0784221401df
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  40.100 29703.0 1
  42.100 128713.0 4
  43.400 24752.5 1
  43.800 143564.5 5
  46.200 113861.5 4
  46.900 30410921.5 999
  52.100 34653.5 1
  54.200 495050.0 16
  55.900 49505.0 2
  57.000 851486.0 28
  58.000 599010.5 20
  59.000 103960.5 3
  61.000 34653.5 1
  66.000 84158.5 3
  67.900 34653.5 1
  70.100 5168322.0 170
  72.000 54455.5 2
  74.000 24752.5 1
  77.300 64356.5 2
  81.800 202970.5 7
  82.200 500000.5 16
  84.300 4257430.0 140
  98.100 16351501.5 537
  100.200 24752.5 1
  128.000 702971.0 23
  132.000 54455.5 2
  132.900 49505.0 2
  143.300 79208.0 3
  176.000 44554.5 1
//