ACCESSION: MSBNK-Keio_Univ-KO002683
RECORD_TITLE: Diphenylamine; LC-ESI-QQ; MS2; CE:20 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 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 170
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00di-2900000000-3a5b94cdf663cbe3bc48
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  69.200 39604.0 12
  80.800 74257.5 23
  81.200 34653.5 11
  83.100 69307.0 21
  91.100 44554.5 14
  91.900 405941.0 124
  93.000 301980.5 92
  94.400 14851.5 5
  95.000 34653.5 11
  96.800 64356.5 20
  106.900 49505.0 15
  108.300 49505.0 15
  124.100 44554.5 14
  134.500 49505.0 15
  135.300 79208.0 24
  141.900 9901.0 3
  153.200 326733.0 100
  170.100 3267330.0 999
//