ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012342
RECORD_TITLE: DIPHENYLMETHANE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: DIPHENYLMETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₂
CH$EXACT_MASS: 168.09390
CH$SMILES: c(c2)ccc(c2)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2
CH$LINK: CAS 101-81-5
CH$LINK: INCHIKEY CZZYITDELCSZES-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1041891

AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

PK$SPLASH: splash10-0006-9000000000-cfae061ff9731c271cd5
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  79 1.2 12
  91 99.99 999
  92 7.75 78
  131 1.79 18
  167 1.43 14
  168 2.27 23
  169 3.11 31
//