ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006207
RECORD_TITLE: 2-HEXYLOXYETHANOL; 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$NAME: 2-HEXYLOXYETHANOL
CH$NAME: HEXYL CELLOSOLVE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈O₂
CH$EXACT_MASS: 146.13068
CH$SMILES: CCCCCCOCCO
CH$IUPAC: InChI=1S/C8H18O2/c1-2-3-4-5-7-10-8-6-9/h9H,2-8H2,1H3
CH$LINK: COMPTOX DTXSID1026908
CH$LINK: INCHIKEY UPGSWASWQBLSKZ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8170

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$SPLASH: splash10-0002-2900000000-3f21898a8d6eb8e7bb33
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  83 9.99 100
  84 6.52 65
  85 27.18 272
  86 2.02 20
  103 5.69 57
  115 2.55 26
  129 1.16 12
  145 4.74 47
  147 99.99 999
  148 21.03 210
  149 2.22 22
  293 4.56 46
//