ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005884
RECORD_TITLE: PIPERONAL; EI-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

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: INCHIKEY SATCULPHIDQDRE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7025924

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0f6t-5900000000-deaf6988b3684d4c20e3
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  28 3.99 40
  29 6.65 67
  37 3.99 40
  38 7.32 73
  39 7.54 75
  49 1.33 13
  50 4.66 47
  51 4.43 44
  52 1.11 11
  53 4.88 49
  60 1.11 11
  61 8.43 84
  62 10.2 102
  63 27.94 279
  64 6.21 62
  65 15.96 160
  66 2.22 22
  74 3.1 31
  77 1.11 11
  79 1.11 11
  91 11.97 120
  92 1.55 16
  119 7.1 71
  120 1.11 11
  121 26.16 262
  122 2.66 27
  149 99.99 999
  150 83.37 834
  151 7.98 80
//