ACCESSION: MSBNK-Keio_Univ-KO002295
RECORD_TITLE: Acetanilide; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-0006-9200000000-12e9d1610beecb011c9d
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  41.200 257426.0 188
  44.700 247525.0 181
  56.900 396040.0 290
  59.100 94059.5 69
  61.000 49505.0 36
  67.300 39604.0 29
  68.800 584159.0 427
  73.400 29703.0 22
  77.000 450495.5 329
  90.900 44554.5 33
  93.000 54455.5 40
  94.100 1366338.0 999
  108.600 24752.5 18
  108.900 267327.0 195
  120.200 84158.5 62
  121.000 49505.0 36
  136.000 608911.5 445
//