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MassBank Record: JP009311

ACETAL; EI-B; MS

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

ACCESSION: JP009311
RECORD_TITLE: ACETAL; EI-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$NAME: ACETAL
CH$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$LINK: INCHIKEY DHKHKXVYLBGOIT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6030607

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-006t-9100000000-7effe9459ca9da9eed08
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  27 1.3 13
  29 7.1 71
  31 2.3 23
  43 0.54 5
  44 2.8 28
  45 99.99 999
  46 2.8 28
  47 1.98 20
  61 3.6 36
  72 1.6 16
  73 81.1 811
  74 0.38 4
  75 8.4 84
  89 1 10
  103 26.2 262
  104 0.15 2
  118 0.7 7
//

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