ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008426
RECORD_TITLE: 1,2-METHYLENEDIOXY-4-(2-PROPENYL)BENZENE; 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$NAME: 1,2-METHYLENEDIOXY-4-(2-PROPENYL)BENZENE
CH$NAME: SAFROLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀O₂
CH$EXACT_MASS: 162.06808
CH$SMILES: C=CCc(c1)cc(O2)c(OC2)c1
CH$IUPAC: InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2
CH$LINK: INCHIKEY ZMQAAUBTXCXRIC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021254

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$SPLASH: splash10-0ik9-6900000000-54b4c1509456711936df
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  26 1.94 19
  27 7.94 79
  28 1.01 10
  29 4.74 47
  30 1.55 16
  31 1.47 15
  37 1.14 11
  38 3.59 36
  39 18.11 181
  40 1.45 15
  41 2.44 24
  50 10.3 103
  51 32.57 326
  52 6.92 69
  53 5.43 54
  55 1.93 19
  61 1.93 19
  62 5.69 57
  63 12.24 122
  64 2.79 28
  65 5.5 55
  66 1.81 18
  73 1.04 10
  74 3.79 38
  75 3.91 39
  76 5.7 57
  77 39.59 396
  78 22.05 221
  79 6.05 61
  80 1.43 14
  81 1.14 11
  89 2.18 22
  91 7.05 71
  92 1.81 18
  102 6.12 61
  103 34.73 347
  104 49.54 495
  105 9.89 99
  106 1.89 19
  115 1.64 16
  119 2.26 23
  121 1.35 14
  131 37.25 373
  132 10.27 103
  133 2.46 25
  134 1.64 16
  135 29.85 299
  136 2.29 23
  147 1.02 10
  161 24.87 249
  162 99.99 999
  163 9.27 93
  164 1.25 13
//