MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005951

PIPERONAL; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005951
RECORD_TITLE: PIPERONAL; 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$NAME: PIPERONAL
CH$NAME: 1,3-BENZODIOXOLE-5-CARBOALDEHYDE
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: INCHIKEY SATCULPHIDQDRE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7025924

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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$SPLASH: splash10-0udj-0900000000-b5bce0817d3b7da073b5
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  77 1.75 18
  91 4.27 43
  93 2.84 28
  95 1.95 20
  119 2.57 26
  121 18 180
  122 1.76 18
  149 91.99 920
  150 99.99 999
  151 20.02 200
  152 1.98 20
//