MassBank Record: MSBNK-Keio_Univ-KO002685
ACCESSION: MSBNK-Keio_Univ-KO002685
RECORD_TITLE: Diphenylamine; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 170
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-9000000000-cbc979c9a66db9d0b5c4
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
65.200 173267.5 112
65.800 19802.0 13
67.000 24752.5 16
77.100 59406.0 38
78.800 54455.5 35
91.100 49505.0 32
91.900 212871.5 137
93.100 1549506.5 999
96.900 34653.5 22
152.100 84158.5 54
169.000 14851.5 10
//