ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006099
RECORD_TITLE: 4-METHYL-2-PENTANOL; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 4-METHYL-2-PENTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄O
CH$EXACT_MASS: 102.10447
CH$SMILES: CC(C)CC(C)O
CH$IUPAC: InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3
CH$LINK: INCHIKEY WVYWICLMDOOCFB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2026781

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-000i-9000000000-f6c739796b66a11d7080
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  69 9.44 94
  83 2.36 24
  84 6.7 67
  85 99.99 999
  87 11.27 113
  88 4.71 47
  101 2.47 25
  102 0.17 2
  103 0.3 3
//