ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006870
RECORD_TITLE: PIPERONYL ALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PIPERONYL ALCOHOL
CH$NAME: 3,4-METHYLENEDIOXYBENZYL ALCOHOL
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0udu-9700000000-26874537cce305fbbfb1
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  26 1.51 15
  27 3.46 35
  29 11.22 112
  30 1.68 17
  31 5.9 59
  37 2.23 22
  38 5.26 53
  39 23.53 235
  40 3.73 37
  41 2.07 21
  42 1.37 14
  43 1.05 11
  50 9.15 92
  51 15.87 159
  52 2.29 23
  53 6.9 69
  55 3.56 36
  61 3.15 32
  62 6.62 66
  63 17.58 176
  64 4 40
  65 44.66 447
  66 14.91 149
  67 3.13 31
  74 2.59 26
  75 5.13 51
  76 2.74 27
  77 19.19 192
  78 2.23 22
  79 2.92 29
  81 1.05 11
  91 2.27 23
  93 52.28 523
  94 21.57 216
  95 3.25 33
  105 5.27 53
  121 13.77 138
  122 21.86 219
  123 22.6 226
  124 1.7 17
  135 48.07 481
  136 3.47 35
  149 4.56 46
  150 1.71 17
  151 32.81 328
  152 99.99 999
  153 7.7 77
//