MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008586

PARAACETALDEHYDE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008586
RECORD_TITLE: PARAACETALDEHYDE; 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$NAME: PARAACETALDEHYDE
CH$NAME: PARALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₃
CH$EXACT_MASS: 132.07864
CH$SMILES: CC(O1)OC(C)OC(C)1
CH$IUPAC: InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
CH$LINK: INCHIKEY SQYNKIJPMDEDEG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9023419

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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$SPLASH: splash10-0005-9000000000-a3f03c0baa80a3369e84
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  15 3.6 36
  27 3.59 36
  29 7.17 72
  42 2.51 25
  43 51.17 512
  44 3.25 33
  45 99.99 999
  46 2.22 22
  87 9.25 93
  89 16.12 161
  117 8.1 81
  131 3.16 32
//