ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012137
RECORD_TITLE: 3-ETHYLPENTANE; 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$NAME: 3-ETHYLPENTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₆
CH$EXACT_MASS: 100.12520
CH$SMILES: CCC(CC)CC
CH$IUPAC: InChI=1S/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3
CH$LINK: CAS 617-78-7
CH$LINK: INCHIKEY AORMDLNPRGXHHL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8073211

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$SPLASH: splash10-052s-9000000000-083e761b33ad6dcb0b24
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  55 3.37 34
  56 2.88 29
  57 55.08 551
  58 2.43 24
  59 3.65 37
  69 1.28 13
  70 5.73 57
  71 46 460
  72 2.58 26
  83 1.52 15
  85 99.99 999
  86 8.31 83
  99 83.38 834
  100 8.37 84
//