ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010545
RECORD_TITLE: 1,3-DIMETHOXY-4-NITROBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: 1,3-DIMETHOXY-4-NITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₉NO₄
CH$EXACT_MASS: 183.05316
CH$SMILES: COc(c1)cc(OC)c(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C8H9NO4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3
CH$LINK: INCHIKEY XXWIYOBCHKCWNT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80197720

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-005i-9800000000-c70b202591e0cac3344e
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
  15 8.5 85
  26 1.31 13
  27 1.75 18
  28 2.42 24
  29 3.83 38
  30 11.99 120
  31 1.36 14
  38 2.01 20
  39 5.1 51
  40 10.3 103
  41 1 10
  42 3.68 37
  44 1.18 12
  47 1.94 19
  51 9.49 95
  52 25.07 251
  53 12.12 121
  54 8.33 83
  55 1.94 19
  59 6.96 70
  61 3.53 35
  62 11.7 117
  63 30.46 305
  64 14.79 148
  65 11.41 114
  66 5.36 54
  67 2.41 24
  68 3.33 33
  69 14.22 142
  74 4.5 45
  75 4.23 42
  76 5.04 50
  77 42.73 427
  78 8.29 83
  79 34.13 341
  80 8.68 87
  81 1.71 17
  82 4.2 42
  91 2.46 25
  92 36.37 364
  93 12.67 127
  94 10.33 103
  95 11.67 117
  96 2.26 23
  97 1.06 11
  106 3.18 32
  107 30.63 306
  108 12.14 121
  109 7.77 78
  110 16.95 170
  111 2.47 25
  122 19.4 194
  123 5.19 52
  124 2.61 26
  125 41.79 418
  126 3.85 39
  135 5.32 53
  136 89.3 893
  137 7.78 78
  138 1.83 18
  139 1.02 10
  140 1.08 11
  153 29.48 295
  154 4.03 40
  166 1.38 14
  167 2.5 25
  183 99.99 999
  184 10.18 102
  185 1.34 13
  187 1.35 14
//