ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006858
RECORD_TITLE: 2-ETHYLHEXANOL; 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$NAME: 2-ETHYLHEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈O
CH$EXACT_MASS: 130.13577
CH$SMILES: CCCCC(CC)CO
CH$IUPAC: InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
CH$LINK: INCHIKEY YIWUKEYIRIRTPP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5020605

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$SPLASH: splash10-0a4l-9000000000-4e3f8e8046c7b7f5b3c7
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 15.43 154
  28 2.09 21
  29 22.48 225
  31 12.03 120
  39 10.1 101
  40 1.28 13
  41 39.91 399
  42 7.24 72
  43 35.76 358
  44 1.46 15
  45 1.57 16
  53 2.19 22
  54 1.66 17
  55 24.7 247
  56 21.76 218
  57 99.99 999
  58 4.32 43
  67 1.18 12
  68 1.37 14
  69 10.09 101
  70 21 210
  71 3.74 37
  82 2.2 22
  83 19.22 192
  84 7.16 72
  97 1.18 12
  98 8.13 81
  99 1.23 12
  112 3.41 34
//