MassBank Record: JP007452

Home Search Record Index

ACETAL; CI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP007452
RECORD_TITLE: ACETAL; 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$NAME: ACETAL
CH$NAME: 1,1-DIETHOXYETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14O2
CH$EXACT_MASS: 118.09938
CH$SMILES: CCOC(C)OCC
CH$IUPAC: InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3
CH$LINK: CAS 105-57-7
CH$LINK: INCHIKEY DHKHKXVYLBGOIT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6030607

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$SPLASH: splash10-0002-9400000000-516028f89361714358f7
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  83 0.67 7
  98 2.29 23
  99 99.99 999
  100 6.81 68
  101 5.33 53
  117 33.75 338
  118 2.14 21
//