ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002882
RECORD_TITLE: 2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O4
CH$EXACT_MASS: 182.05791
CH$SMILES: COc(c(=O)1)c(OC)c(=O)c(C)c1
CH$IUPAC: InChI=1S/C9H10O4/c1-5-4-6(10)8(12-2)9(13-3)7(5)11/h4H,1-3H3
CH$LINK: INCHIKEY UIXPTCZPFCVOQF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90209242
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-015i-9700000000-1ccc2ffbcfbbc96f6cd4
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  14 5.05 51
  15 70.96 710
  26 2.97 30
  27 14.56 146
  29 11.85 119
  37 3.21 32
  38 10.42 104
  39 55.34 553
  40 50.53 505
  41 9.92 99
  42 2.55 26
  43 13.1 131
  50 4.79 48
  51 6.36 64
  52 10.03 100
  53 13.9 139
  54 2.09 21
  55 5.06 51
  56 2.28 23
  65 2.23 22
  66 2.63 26
  67 12.19 122
  68 38.52 385
  69 31.24 312
  79 2.75 28
  80 6.27 63
  81 9.28 93
  83 60.53 605
  84 3.39 34
  86 2.49 25
  93 3.12 31
  95 4.13 41
  96 12.73 127
  97 2.01 20
  108 5.5 55
  109 2.84 28
  111 23.38 234
  121 6.89 69
  123 3.64 36
  125 4.06 41
  126 4.88 49
  135 2.17 22
  136 19.83 198
  137 99.99 999
  138 9.6 96
  139 20.48 205
  140 2.55 26
  151 3.74 37
  152 2.67 27
  153 14.84 148
  154 4.06 41
  164 2.56 26
  167 33 330
  169 10.09 101
  181 2.13 21
  182 97.26 973
  183 14.8 148
  184 16.61 166
//
