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1,1-DIETHOXY ETHANE; EI-B; MS

Mass Spectrum

Chemical Structure

metabolomics-usi visualisation

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002946
RECORD_TITLE: 1,1-DIETHOXY ETHANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 1,1-DIETHOXY ETHANE
CH$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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-9000000000-a15185ca3da2eb72c9dd
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  15 5.65 57
  19 3.49 35
  27 11.56 116
  28 3.94 39
  29 21.99 220
  31 4.11 41
  43 16.74 167
  44 4.5 45
  45 99.99 999
  46 2.02 20
  47 17.54 175
  61 3.55 36
  73 48.09 481
  74 2.29 23
  75 4.76 48
  103 13.01 130
//

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system version 2.2.8

Responsible: Tillmann G. Fischer

Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI4Chem – Projektnummer 441958208.