MassBank Record: MSBNK-Keio_Univ-KO002296
ACCESSION: MSBNK-Keio_Univ-KO002296
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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 136
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004l-9200000000-2d487e012ca3b59d0a9b
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
41.100 183168.5 268
42.900 84158.5 123
45.000 123762.5 181
57.500 69307.0 101
65.200 143564.5 210
67.000 34653.5 51
68.100 44554.5 65
68.900 64356.5 94
77.200 683169.0 999
90.800 44554.5 65
92.300 19802.0 29
92.900 89109.0 130
94.300 262376.5 384
108.900 217822.0 319
120.300 168317.0 246
135.800 113861.5 167
//
system version 2.2.6-SNAPSHOT