MassBank Record: MSBNK-Keio_Univ-KO002684
ACCESSION: MSBNK-Keio_Univ-KO002684
RECORD_TITLE: Diphenylamine; 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 D044
CH$NAME: Diphenylamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H11N
CH$EXACT_MASS: 169.08915
CH$SMILES: c(c2)ccc(c2)Nc(c1)cccc1
CH$IUPAC: InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H
CH$LINK: CAS
122-39-4
CH$LINK: KEGG
C11016
CH$LINK: NIKKAJI
J2.493G
CH$LINK: PUBCHEM
SID:13199
CH$LINK: INCHIKEY
DMBHHRLKUKUOEG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4021975
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 170
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-9200000000-797a3103a29e18b04c1c
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
43.100 34653.5 19
65.200 49505.0 27
69.000 64356.5 35
77.100 34653.5 19
79.300 84158.5 45
80.700 34653.5 19
91.200 54455.5 29
92.100 990100.0 534
93.000 1851487.0 999
96.900 69307.0 37
109.200 44554.5 24
128.100 44554.5 24
135.100 39604.0 21
152.000 34653.5 19
152.700 39604.0 21
153.100 89109.0 48
169.200 49505.0 27
170.400 465347.0 251
//
system version 2.2.6-SNAPSHOT