ACCESSION: MSBNK-Keio_Univ-KO002293
RECORD_TITLE: Acetanilide; LC-ESI-QQ; MS2; CE:10 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$EXACT_MASS: 135.06841
CH$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: KEGG C07565
CH$LINK: NIKKAJI J4.023A
CH$LINK: PUBCHEM SID:9768
CH$LINK: INCHIKEY FZERHIULMFGESH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2022543

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 10 V

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

PK$SPLASH: splash10-014r-4900000000-7f8d10f07700a193e622
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  41.200 34653.5 3
  50.000 3727726.5 313
  54.400 29703.0 2
  57.300 584159.0 49
  59.200 69307.0 6
  59.600 34653.5 3
  60.900 198020.0 17
  63.000 1183169.5 99
  63.900 69307.0 6
  68.000 158416.0 13
  69.000 2069309.0 174
  73.000 89109.0 7
  76.000 881189.0 74
  77.300 24752.5 2
  81.900 232673.5 20
  83.300 336634.0 28
  84.100 54455.5 5
  84.400 24752.5 2
  87.000 564357.0 47
  88.700 24752.5 2
  94.100 252475.5 21
  99.900 123762.5 10
  101.000 2009903.0 169
  104.100 262376.5 22
  109.300 19802.0 2
  119.100 11901002.0 999
  136.000 8915850.5 748
//