ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001816
RECORD_TITLE: 4-METHYL-2-PENTANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
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$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-9000000000-249727e6c8ac064ea5fc
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  15 1.98 20
  19 1.35 14
  27 7.54 75
  29 5.08 51
  31 1.75 18
  39 5.95 60
  41 14.84 148
  42 4.76 48
  43 22.14 221
  44 6.59 66
  45 99.99 999
  46 2.22 22
  55 1.83 18
  56 4.44 44
  57 4.76 48
  69 14.29 143
  84 3.1 31
  87 4.6 46
//