ACCESSION: MSBNK-Keio_Univ-KO002297
RECORD_TITLE: Acetanilide; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-004l-9000000000-e50ad2b0e89696e08851
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  41.200 64356.5 333
  45.200 44554.5 231
  50.900 29703.0 154
  69.100 39604.0 205
  76.900 193069.5 999
  94.100 44554.5 231
  107.600 14851.5 77
  108.900 19802.0 102
//