ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008713
RECORD_TITLE: 3,4-METHYLENEDIOXYBENZALDEHYDE; 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

CH$NAME: 3,4-METHYLENEDIOXYBENZALDEHYDE
CH$NAME: HELIOTROPINE
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$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0f6t-5900000000-f62030c087954cb17793
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  26 1.13 11
  29 8.72 87
  30 1.01 10
  37 4.09 41
  38 7.18 72
  39 7 70
  49 1.53 15
  50 5.23 52
  51 4.96 50
  52 1.11 11
  53 5.7 57
  61 7.26 73
  62 13.94 139
  63 34.8 348
  64 6.73 67
  65 21.91 219
  66 3.03 30
  74 2.55 26
  79 1.47 15
  91 9.28 93
  92 1.84 18
  119 6.27 63
  120 1.36 14
  121 27.68 277
  122 2.56 26
  149 99.99 999
  150 87.61 876
  151 6.45 65
//