ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012242
RECORD_TITLE: BENZENE; 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$NAME: BENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆
CH$EXACT_MASS: 78.04695
CH$SMILES: c(c1)cccc1
CH$IUPAC: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
CH$LINK: CAS 71-43-2
CH$LINK: INCHIKEY UHOVQNZJYSORNB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3039242

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$SPLASH: splash10-004i-9100000000-11f8463e7c6286637b1b
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  78 7.43 74
  79 99.99 999
  80 7.03 70
  91 3.35 34
  107 13.88 139
  108 1.2 12
  119 4.49 45
//