ACCESSION: MSBNK-Keio_Univ-KO000198
RECORD_TITLE: Acetanilide; LC-ESI-QQ; MS2; CE:40 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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 134
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0006-9000000000-8877ad97a3992f913113
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  41.300 29703.0 34
  65.300 19802.0 22
  92.200 881189.0 999
//