ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012248
RECORD_TITLE: PARA-XYLENE; 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$NAME: PARA-XYLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀
CH$EXACT_MASS: 106.07825
CH$SMILES: Cc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
CH$LINK: CAS 106-42-3
CH$LINK: INCHIKEY URLKBWYHVLBVBO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021868

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$SPLASH: splash10-0a4i-0900000000-3bf7450495bd2c1b9ae3
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  105 15.97 160
  106 8.32 83
  107 99.99 999
  108 8.8 88
  135 19.97 200
  136 2.07 21
  147 6.15 62
//