ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006383
RECORD_TITLE: HELIOTROPYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: HELIOTROPYL ACETATE
CH$NAME: 3,4-METHYLENEDIOXYBENZYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀O₄
CH$EXACT_MASS: 194.05791
CH$SMILES: CC(=O)OCc(c1)cc(O2)c(OC2)c1
CH$IUPAC: InChI=1S/C10H10O4/c1-7(11)12-5-8-2-3-9-10(4-8)14-6-13-9/h2-4H,5-6H2,1H3
CH$LINK: INCHIKEY PFWYHTORQZAGCA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2025925

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$SPLASH: splash10-0f76-4900000000-92da8e820031602709c7
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  15 3.05 31
  27 1.2 12
  29 2.27 23
  38 2.09 21
  39 7.93 79
  42 1.45 15
  43 28.89 289
  50 5.94 59
  51 18.96 190
  52 1.68 17
  53 2.78 28
  62 2.72 27
  63 8.13 81
  64 2.07 21
  65 14.25 143
  66 1.87 19
  67 3.12 31
  74 1.3 13
  75 1.22 12
  76 13.01 130
  77 22.65 227
  78 3.36 34
  79 5.02 50
  91 1.34 13
  93 11.2 112
  94 2.18 22
  104 10.45 105
  105 10.1 101
  106 1.34 13
  121 3.5 35
  122 10.86 109
  123 4.94 49
  134 38.48 385
  135 99.99 999
  136 9.21 92
  149 4.45 45
  150 1.54 15
  151 7.52 75
  152 56.02 560
  153 4.44 44
  194 63.59 636
  195 7.24 72
//