MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009259

ISOVALERALDEHYDE DIISOBUTYL ACETAL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009259
RECORD_TITLE: ISOVALERALDEHYDE DIISOBUTYL 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$NAME: ISOVALERALDEHYDE DIISOBUTYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₈O₂
CH$EXACT_MASS: 216.20893
CH$SMILES: CC(C)COC(OCC(C)C)CC(C)C
CH$IUPAC: InChI=1S/C13H28O2/c1-10(2)7-13(14-8-11(3)4)15-9-12(5)6/h10-13H,7-9H2,1-6H3
CH$LINK: COMPTOX DTXSID30158684
CH$LINK: INCHIKEY XQJQKXSIFKNEPF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:83453

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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$SPLASH: splash10-0a4l-9100000000-f115376f2518d43c0683
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 3.7 37
  29 13.9 139
  31 1.3 13
  39 0.31 3
  41 20.3 203
  42 1.8 18
  43 10.3 103
  45 0.32 3
  55 2.3 23
  56 3 30
  57 99.99 999
  58 0.49 5
  69 12.5 125
  71 2.3 23
  85 2.1 21
  87 1.26 13
  103 8.3 83
  143 20.4 204
  144 1.8 18
  159 6.9 69
//