ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012285
RECORD_TITLE: SEC-PENTYLBENZENE; 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$NAME: SEC-PENTYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₆
CH$EXACT_MASS: 148.12520
CH$SMILES: CCCC(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H16/c1-3-7-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3
CH$LINK: CAS 2719-52-0
CH$LINK: INCHIKEY LTHAIAJHDPJXLG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10870993

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$SPLASH: splash10-00di-9500000000-a1ed8a082dabe2184704
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  71 99.99 999
  72 5.71 57
  79 2.53 25
  91 5.67 57
  105 18 180
  106 1.84 18
  107 10.51 105
  119 4.87 49
  133 7.04 70
  147 9.01 90
  148 4.41 44
  149 16.97 170
  150 2 20
//