MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008671

HEPTANAL ETHYLENE GLYCOL ACETAL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008671
RECORD_TITLE: HEPTANAL ETHYLENE GLYCOL ACETAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

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CH$NAME: HEPTANAL ETHYLENE GLYCOL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₂
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCCCCC(O1)OCC1
CH$IUPAC: InChI=1S/C9H18O2/c1-2-3-4-5-6-9-10-7-8-11-9/h9H,2-8H2,1H3
CH$LINK: INCHIKEY DDSSJDFXTAYRNO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0051786

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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-00di-9000000000-6a14e14b68129ce406f0
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  15 1.01 10
  27 7.4 74
  29 5.2 52
  31 1.12 11
  39 4.09 41
  41 7.54 75
  42 1.68 17
  43 4.68 47
  44 1.16 12
  45 18.24 182
  55 1.96 20
  57 1.14 11
  71 1.22 12
  73 99.99 999
  74 3.46 35
  157 1.21 12
//