ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010923
RECORD_TITLE: 1,3-BENZODIOXOLE-5-METHANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 1,3-BENZODIOXOLE-5-METHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₃
CH$EXACT_MASS: 152.04734
CH$SMILES: OCc(c1)cc(O2)c(OC2)c1
CH$IUPAC: InChI=1S/C8H8O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,9H,4-5H2
CH$LINK: INCHIKEY BHUIUXNAPJIDOG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3060089

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0udi-6900000000-383ea5b0110656e05ef3
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  29 4 40
  31 2.5 25
  38 3.5 35
  39 13.4 134
  40 4.1 41
  50 5 50
  51 10.3 103
  53 5.5 55
  55 2.8 28
  61 2.7 27
  62 5.7 57
  63 10.3 103
  64 3.3 33
  65 27.7 277
  66 10.1 101
  67 2.5 25
  74 2.4 24
  75 7.5 75
  76 2.3 23
  77 15.5 155
  78 1.9 19
  79 2 20
  91 3.9 39
  93 45.3 453
  94 15.8 158
  95 2.3 23
  105 6.8 68
  119 2.3 23
  121 13.3 133
  122 20.6 206
  123 21.8 218
  124 1.9 19
  135 50.9 509
  136 5.7 57
  149 16.1 161
  150 11.7 117
  151 39.1 391
  152 99.99 999
  153 11.9 119
//