ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006098
RECORD_TITLE: 2-METHYL-1-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$NAME: 2-METHYL-1-PENTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄O
CH$EXACT_MASS: 102.10447
CH$SMILES: CCCC(C)CO
CH$IUPAC: InChI=1S/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3
CH$LINK: INCHIKEY PFNHSEQQEPMLNI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9026714

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$SPLASH: splash10-000i-9000000000-f398249a231d13e4493c
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  69 6.55 66
  70 7.45 75
  72 9.4 94
  83 5.75 58
  84 8.11 81
  85 99.99 999
  86 6.55 66
  101 3.13 31
  102 0.22 2
  103 0.19 2
//