ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006556
RECORD_TITLE: 4-METHYLPENTANOL; 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$NAME: 4-METHYLPENTANOL
CH$NAME: ISOHEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄O
CH$EXACT_MASS: 102.10447
CH$SMILES: OCCCC(C)C
CH$IUPAC: InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3
CH$LINK: INCHIKEY PCWGTDULNUVNBN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0044313

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$SPLASH: splash10-052f-9000000000-238beab3724f409e2a94
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  15 1.91 19
  26 1.23 12
  27 20.99 210
  28 3.43 34
  29 16.53 165
  31 25.95 260
  39 16.92 169
  40 2.5 25
  41 63.96 640
  42 42.1 421
  43 50.13 501
  44 2 20
  45 3.53 35
  53 2.15 22
  55 11.76 118
  56 99.99 999
  57 10.88 109
  59 1.23 12
  60 1.28 13
  67 1.02 10
  69 40.38 404
  70 2.13 21
  83 1.36 14
  84 4.22 42
//