ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010996
RECORD_TITLE: 2-(2,5-DIMETHOXYBENZYLOXY)-5-METHOXYTROPONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKESHITA H, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2-(2,5-DIMETHOXYBENZYLOXY)-5-METHOXYTROPONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₈O₅
CH$EXACT_MASS: 302.11542
CH$SMILES: COC(C=1)=CC=C(OCc(c2)c(OC)ccc(OC)2)C(=O)C1
CH$IUPAC: InChI=1S/C17H18O5/c1-19-13-4-7-15(18)17(9-5-13)22-11-12-10-14(20-2)6-8-16(12)21-3/h4-10H,11H2,1-3H3
CH$LINK: INCHIKEY OXGLZJKALWCSBY-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0zi3-9400000000-07c77c3cd7e8d171b592
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  38 21.55 216
  40 26.08 261
  42 18.44 184
  51 13.54 135
  52 13.97 140
  53 10.69 107
  54 9.84 98
  55 22.98 230
  56 51.96 520
  61 13.22 132
  63 10.25 103
  64 6.78 68
  65 30.23 302
  67 7.8 78
  70 9.34 93
  77 28.17 282
  78 25.22 252
  79 11.31 113
  80 9.04 90
  81 8.29 83
  83 7.82 78
  91 32.44 324
  95 14.97 150
  98 9.52 95
  99 18.25 183
  108 18.45 185
  109 15.47 155
  119 1.37 14
  120 1.07 11
  121 43.11 431
  122 3.48 35
  123 14.97 150
  124 4.37 44
  135 3.56 36
  136 3.82 38
  137 2.65 27
  142 1.41 14
  143 5.82 58
  151 99.99 999
  152 13.2 132
  153 1.81 18
  165 1.61 16
  169 1.21 12
  224 5.55 56
  225 1.28 13
  302 8.04 80
  303 2.24 22
//