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MassBank Record: KO002907

N-Formyl-L-Methionine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO002907
RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-0bu0-9200000000-95443fc05ab3a30f1736
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  54.900 44554.5 107
  56.400 153465.5 369
  59.100 287129.0 690
  60.900 415842.0 999
  67.300 9901.0 24
  69.100 49505.0 119
  73.900 94059.5 226
  84.300 277228.0 666
  87.200 24752.5 59
  87.900 9901.0 24
  90.700 29703.0 71
  101.000 158416.0 381
  105.400 49505.0 119
  112.400 9901.0 24
  115.300 153465.5 369
  118.400 24752.5 59
  161.000 9901.0 24
//

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