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
//