MassBank Record: KO000800

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N-Formyl-L-Methionine; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

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

ACCESSION: KO000800
RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQ; MS2; CE:20 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: COMPTOX DTXSID80863357
CH$LINK: INCHIKEY PYUSHNKNPOHWEZ-YFKPBYRVSA-N
CH$LINK: KEGG C03145

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 20 V

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

PK$SPLASH: splash10-002b-9600000000-e2a1a85ea82026c67c40
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  44.0 19802.0 1.0
  47.1 1.59951E7 329.0
  54.3 158416.0 3.0
  57.0 490100.0 10.0
  58.0 693070.0 14.0
  61.1 34653.5 1.0
  66.3 34653.5 1.0
  70.1 1069310.0 22.0
  75.2 39604.0 1.0
  82.3 504951.0 10.0
  83.2 69307.0 1.0
  84.3 1.63069E7 335.0
  96.9 54455.5 1.0
  98.1 4.85941E7 999.0
  100.6 24752.5 1.0
  101.3 14851.5 1.0
  103.8 257426.0 5.0
  113.9 19802.0 1.0
  116.1 59406.0 1.0
  116.9 39604.0 1.0
  117.2 34653.5 1.0
  125.7 49505.0 1.0
  127.9 3.79406E7 780.0
  130.2 49505.0 1.0
  131.9 1856440.0 38.0
  132.7 44554.5 1.0
  134.0 34653.5 1.0
  142.9 1000000.0 21.0
  148.2 212872.0 4.0
  158.4 24752.5 1.0
  174.1 74257.5 2.0
  176.3 1.58218E7 325.0
//