ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008229
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: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA
CH$NAME: 2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE
CH$NAME: COENZYME Q0
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: CAS 605-94-7
CH$LINK: INCHIKEY UIXPTCZPFCVOQF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90209242
AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-015i-9700000000-59c51939f97dd54fba00
PK$NUM_PEAK: 73
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
  59 1.12 11
  63 1.15 12
  65 2.23 22
  66 2.63 26
  67 12.19 122
  68 38.52 385
  69 31.24 312
  70 1.23 12
  71 1.69 17
  78 1.02 10
  79 2.75 28
  80 6.27 63
  81 9.28 93
  82 1.69 17
  83 60.53 605
  84 3.39 34
  86 2.49 25
  93 3.12 31
  94 1.51 15
  95 4.13 41
  96 12.73 127
  97 2.01 20
  99 1.56 16
  107 1.83 18
  108 5.5 55
  109 2.84 28
  111 23.38 234
  112 1.77 18
  121 6.89 69
  122 1.75 18
  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
  141 1.18 12
  151 3.74 37
  152 2.67 27
  153 14.84 148
  154 4.06 41
  164 2.56 26
  167 33 330
  168 1.32 13
  169 10.09 101
  170 1.14 11
  181 2.13 21
  182 97.26 973
  183 14.8 148
  184 16.61 166
  185 1.42 14
//
