ACCESSION: MSBNK-Keio_Univ-KO002682
RECORD_TITLE: Diphenylamine; 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 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 10 V

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

PK$SPLASH: splash10-00di-0900000000-2283250c2cf8e7fdffbd
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  81.000 89109.0 14
  90.900 24752.5 4
  94.900 34653.5 5
  95.100 14851.5 2
  98.500 19802.0 3
  109.800 14851.5 2
  112.300 39604.0 6
  123.800 29703.0 5
  133.800 103960.5 16
  138.000 24752.5 4
  152.100 79208.0 13
  153.200 945545.5 150
  170.300 6316838.0 999
//