ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012129
RECORD_TITLE: PENTANE; 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$NAME: PENTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂
CH$EXACT_MASS: 72.09390
CH$SMILES: CCCCC
CH$IUPAC: InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
CH$LINK: CAS 109-66-0
CH$LINK: INCHIKEY OFBQJSOFQDEBGM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2025846

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$SPLASH: splash10-05fr-9000000000-cb388ccd32b4dda52ab6
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  57 63.84 638
  58 3.31 33
  70 2.82 28
  71 99.99 999
  72 13.23 132
//