ACCESSION: MSBNK-Keio_Univ-KO000803
RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-0002-9000000000-04ba3fa1d5a4d4da730a
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  39.900 113861.5 7
  42.200 282178.5 18
  43.000 103960.5 7
  44.200 99010.0 6
  46.100 311881.5 20
  47.100 15589124.5 999
  52.000 89109.0 6
  54.000 158416.0 10
  57.300 113861.5 7
  58.400 54455.5 3
  59.000 173267.5 11
  68.000 34653.5 2
  70.100 792080.0 51
  72.100 34653.5 2
  82.400 34653.5 2
  98.100 143564.5 9
//