MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005938

PROPIONALDEHYDE DIETHYLACETAL; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005938
RECORD_TITLE: PROPIONALDEHYDE DIETHYLACETAL; 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

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CH$NAME: PROPIONALDEHYDE DIETHYLACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₆O₂
CH$EXACT_MASS: 132.11503
CH$SMILES: CCOC(CC)OCC
CH$IUPAC: InChI=1S/C7H16O2/c1-4-7(8-5-2)9-6-3/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY MBNMGGKBGCIEGF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8063593

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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

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PK$SPLASH: splash10-0f79-9500000000-69f516960bdc21e40931
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  75 30.31 303
  76 0.89 9
  86 1.27 13
  87 99.99 999
  88 5.02 50
  103 76.96 770
  104 4.17 42
  105 0.65 7
  131 1.64 16
//