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MassBank Record: KO000799

N-Formyl-L-Methionine; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

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

ACCESSION: KO000799
RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-004i-0900000000-a5b03aa018c68be71432
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  47.100 108911.0 1
  84.400 1554457.0 5
  98.000 2678220.5 8
  103.800 326733.0 1
  115.300 54455.5 1
  116.400 99010.0 1
  127.900 30445575.0 88
  131.900 2069309.0 6
  143.300 1445546.0 4
  148.100 94059.5 1
  174.300 19802.0 1
  176.100 345005295.5 999
//

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