MassBank Record: MSBNK-Keio_Univ-KO002293
ACCESSION: MSBNK-Keio_Univ-KO002293
RECORD_TITLE: Acetanilide; LC-ESI-QQ; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 136
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014r-4900000000-7f8d10f07700a193e622
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
41.200 34653.5 3
50.000 3727726.5 313
54.400 29703.0 2
57.300 584159.0 49
59.200 69307.0 6
59.600 34653.5 3
60.900 198020.0 17
63.000 1183169.5 99
63.900 69307.0 6
68.000 158416.0 13
69.000 2069309.0 174
73.000 89109.0 7
76.000 881189.0 74
77.300 24752.5 2
81.900 232673.5 20
83.300 336634.0 28
84.100 54455.5 5
84.400 24752.5 2
87.000 564357.0 47
88.700 24752.5 2
94.100 252475.5 21
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101.000 2009903.0 169
104.100 262376.5 22
109.300 19802.0 2
119.100 11901002.0 999
136.000 8915850.5 748
//
system version 2.2.6-SNAPSHOT