MassBank Record: MSBNK-Keio_Univ-KO002295
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
//
system version 2.2.6-SNAPSHOT