MassBank Record: KO002294

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Acetanilide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO002294
RECORD_TITLE: Acetanilide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A130

CH$NAME: Acetanilide
CH$NAME: N-Phenylacetamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H9NO
CH$EXACT_MASS: 135.068410000000000081854523159563541412353515625
CH$SMILES: CC(=O)Nc(c1)cccc1
CH$IUPAC: InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)
CH$LINK: CAS 103-84-4
CH$LINK: CHEBI 28884
CH$LINK: COMPTOX DTXSID2022543
CH$LINK: INCHIKEY FZERHIULMFGESH-UHFFFAOYSA-N
CH$LINK: KEGG C07565
CH$LINK: NIKKAJI J4.023A
CH$LINK: PUBCHEM SID:9768

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 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 136
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-014u-9300000000-f975b8216fe43fc1d9cc
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  41.000 34653.5 12
  43.000 64356.5 23
  45.000 316832.0 112
  50.000 103960.5 37
  54.800 29703.0 10
  57.100 1064357.5 376
  59.100 153465.5 54
  60.900 153465.5 54
  62.900 391089.5 138
  66.900 24752.5 9
  69.000 2826735.5 999
  73.100 69307.0 24
  76.300 34653.5 12
  82.800 158416.0 56
  84.400 9901.0 3
  87.000 64356.5 23
  88.500 29703.0 10
  90.800 59406.0 21
  94.000 1910893.0 675
  101.100 361386.5 128
  108.700 24752.5 9
  109.000 34653.5 12
  119.100 123762.5 44
  120.400 24752.5 9
  136.100 2534656.0 896
//