ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006559
RECORD_TITLE: 3-METHYL-3-PENTANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 3-METHYL-3-PENTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄O
CH$EXACT_MASS: 102.10447
CH$SMILES: CCC(C)(O)CC
CH$IUPAC: InChI=1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3
CH$LINK: INCHIKEY FRDAATYAJDYRNW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021755

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-00di-9000000000-94936982b2ae74132d06
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 1.75 18
  18 3.8 38
  26 1.2 12
  27 8.05 81
  29 8.88 89
  31 3.9 39
  39 3.24 32
  41 6.44 64
  42 1.42 14
  43 14.71 147
  44 1.18 12
  45 16.02 160
  46 1.12 11
  51 1.1 11
  53 2.22 22
  55 26.13 261
  56 2.48 25
  57 4.01 40
  58 1.12 11
  69 3.83 38
  71 1.01 10
  73 99.99 999
  74 5.24 52
  85 2.06 21
  87 11.22 112
//