MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007556

PIPERONAL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007556
RECORD_TITLE: PIPERONAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: PIPERONAL
CH$NAME: 1,3-BENZODIOXOLE-5-CARBALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₆O₃
CH$EXACT_MASS: 150.03169
CH$SMILES: O=Cc(c1)cc(O2)c(OC2)c1
CH$IUPAC: InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2
CH$LINK: CAS 120-57-0
CH$LINK: INCHIKEY SATCULPHIDQDRE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7025924

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0udj-2900000000-dd3223a5400ccb92654c
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  29 3.58 36
  39 3.43 34
  44 3.71 37
  63 10.44 104
  65 20.26 203
  91 8.92 89
  99 4.78 48
  119 7.19 72
  121 34.39 344
  149 81.91 819
  150 99.99 999
  151 8.8 88
//