ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010544
RECORD_TITLE: 1,2-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$NAME: 1,2-DIMETHOXY-4-NITROBENZENE
CH$NAME: 4-NITROVERATROLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₉NO₄
CH$EXACT_MASS: 183.05316
CH$SMILES: COc(c1)c(OC)cc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C8H9NO4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3
CH$LINK: CAS 709-09-1
CH$LINK: INCHIKEY YFWBUVZWCBFSQN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9061043

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$SPLASH: splash10-003r-9700000000-2b4079f38b606f07409d
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  15 5.96 60
  18 1.1 11
  28 1.26 13
  29 1.89 19
  30 14.82 148
  38 1.01 10
  39 2 20
  40 4.48 45
  42 1.79 18
  44 1.14 11
  47 2.04 20
  51 9.41 94
  52 23.68 237
  53 5.03 50
  54 5.22 52
  56 1.67 17
  61 1.91 19
  62 5.73 57
  63 11.09 111
  64 4.36 44
  65 4.16 42
  66 8.17 82
  67 1.21 12
  69 3.92 39
  74 2.84 28
  75 3.21 32
  76 4.96 50
  77 20.24 202
  78 4.09 41
  79 39.55 396
  80 4.08 41
  82 2.08 21
  91 1.99 20
  92 12.41 124
  93 3.39 34
  94 11.17 112
  95 5.28 53
  107 14.72 147
  108 6.78 68
  109 3.05 31
  110 7.08 71
  121 2.3 23
  122 7.13 71
  123 2.37 24
  125 12.78 128
  126 1.03 10
  137 14.74 147
  138 1.9 19
  153 16.75 168
  154 1.53 15
  167 2.75 28
  168 5.02 50
  183 99.99 999
  184 9.64 96
  185 1.22 12
//