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$EXACT_MASS: 177.045960000000007994458428584039211273193359375
CH$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.
  44.000 19802.0 1
  47.100 15995065.5 329
  54.300 158416.0 3
  57.000 490099.5 10
  58.000 693070.0 14
  61.100 34653.5 1
  66.300 34653.5 1
  70.100 1069308.0 22
  75.200 39604.0 1
  82.300 504951.0 10
  83.200 69307.0 1
  84.300 16306947.0 335
  96.900 54455.5 1
  98.100 48594108.0 999
  100.600 24752.5 1
  101.300 14851.5 1
  103.800 257426.0 5
  113.900 19802.0 1
  116.100 59406.0 1
  116.900 39604.0 1
  117.200 34653.5 1
  125.700 49505.0 1
  127.900 37940632.0 780
  130.200 49505.0 1
  131.900 1856437.5 38
  132.700 44554.5 1
  134.000 34653.5 1
  142.900 1000001.0 21
  148.200 212871.5 4
  158.400 24752.5 1
  174.100 74257.5 2
  176.300 15821798.0 325
//