MassBank Record: KO002297

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Acetanilide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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

ACCESSION: 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: 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 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.
  41.2 64356.5 333.0
  45.2 44554.5 231.0
  50.9 29703.0 154.0
  69.1 39604.0 205.0
  76.9 193070.0 999.0
  94.1 44554.5 231.0
  107.6 14851.5 77.0
  108.9 19802.0 102.0
//