ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012257
RECORD_TITLE: 2-ETHYLTOLUENE; 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$NAME: 2-ETHYLTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂
CH$EXACT_MASS: 120.09390
CH$SMILES: CCc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
CH$LINK: CAS 611-14-3
CH$LINK: INCHIKEY HYFLWBNQFMXCPA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2050403

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$SPLASH: splash10-00di-0900000000-bf9fb381656d57a46a34
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  93 11.1 111
  105 7.75 78
  119 17.54 175
  120 11.48 115
  121 99.99 999
  122 15.82 158
  149 31.13 311
  150 3.67 37
  161 8.66 87
  162 1.11 11
//