ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007439
RECORD_TITLE: 2-(2-ETHOXYETHOXY)ETHANOL; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2-(2-ETHOXYETHOXY)ETHANOL
CH$NAME: CARBITOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄O₃
CH$EXACT_MASS: 134.09429
CH$SMILES: CCOCCOCCO
CH$IUPAC: InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3
CH$LINK: CAS 111-90-0
CH$LINK: INCHIKEY XXJWXESWEXIICW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021941

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-000i-4900000000-e91139bf3c23eb5688d9
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  65 2.96 30
  67 2.75 28
  68 3.64 36
  70 0.91 9
  73 5.89 59
  74 23.12 231
  79 1.26 13
  85 2.86 29
  87 3.78 38
  88 0.91 9
  89 11.57 116
  91 1.64 16
  92 2.53 25
  93 0.59 6
  94 1.74 17
  96 1.84 18
  104 4.33 43
  107 1.05 11
  112 1.91 19
  127 1.96 20
  129 0.81 8
  133 4.25 43
  135 99.99 999
  136 6.3 63
  151 1.78 18
  163 1.01 10
//