ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012284
RECORD_TITLE: 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$NAME: PENTYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₆
CH$EXACT_MASS: 148.12520
CH$SMILES: CCCCCc(c1)cccc1
CH$IUPAC: InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3
CH$LINK: CAS 538-68-1
CH$LINK: INCHIKEY PWATWSYOIIXYMA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6022054

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$SPLASH: splash10-006t-5900000000-9b44dd941f1ca9387f81
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  56 1 10
  71 97.34 973
  72 6.07 61
  79 3.19 32
  91 30.92 309
  92 5.36 54
  105 5.67 57
  107 10.99 110
  119 3.17 32
  133 3.61 36
  147 34.4 344
  148 14.54 145
  149 99.99 999
  150 11.13 111
  177 20.18 202
  178 2.93 29
  187 1.26 13
  189 9.81 98
  190 1.48 15
  191 1.15 12
//