ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000442
RECORD_TITLE: 5-HYDROXY-1,2-DIMETHYL-6-NITROINNOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 5-HYDROXY-1,2-DIMETHYL-6-NITROINNOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀N₂O₃
CH$EXACT_MASS: 206.06914
CH$SMILES: [O-1][N+1](=O)c(c1)c(O)cc(c2)c1n(C)c(C)2
CH$IUPAC: InChI=1S/C10H10N2O3/c1-6-3-7-4-10(13)9(12(14)15)5-8(7)11(6)2/h3-5,13H,1-2H3
CH$LINK: INCHIKEY LDKJCZFMASHXCF-UHFFFAOYSA-N

AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9530000000-9e5fedb869803f6f9e35
PK$NUM_PEAK: 86
PK$PEAK: m/z int. rel.int.
  39 19.5 195
  40 1.6 16
  41 12.4 124
  42 1.24 12
  43 19.5 195
  44 2.4 24
  45 10.5 105
  50 0.31 3
  51 7.8 78
  52 3.3 33
  53 7.2 72
  54 0.25 3
  55 15 150
  56 20.6 206
  57 22.1 221
  60 0.38 4
  62 1.7 17
  63 13.4 134
  64 5.5 55
  65 0.64 6
  66 6 60
  67 5.5 55
  68 2.8 28
  69 2.44 24
  70 3.3 33
  71 11 110
  74 1.1 11
  75 0.33 3
  76 3.3 33
  77 18.4 184
  78 9.4 94
  79 0.4 4
  80 1.5 15
  81 10.5 105
  82 3.2 32
  83 0.78 8
  84 1.6 16
  85 5.5 55
  88 1.4 14
  89 1.9 19
  90 16.5 165
  91 11 110
  92 2.5 25
  93 0.2 2
  95 5 50
  96 1.6 16
  97 6 60
  98 0.1 1
  99 1.1 11
  102 2.3 23
  103 8.8 88
  104 0.55 6
  105 3.3 33
  106 1.3 13
  107 1.2 12
  109 0.29 3
  111 3.2 32
  115 1.6 16
  116 11.6 116
  117 1.4 14
  118 5.5 55
  119 2.1 21
  123 1.8 18
  125 0.14 1
  129 3.7 37
  130 26 260
  131 37.2 372
  132 3.7 37
  133 6.6 66
  137 1.5 15
  144 1.1 11
  145 4.3 43
  146 4 40
  147 2.1 21
  148 12 120
  149 0.3 3
  150 1.1 11
  159 3.9 39
  160 4.2 42
  161 0.76 8
  173 5 50
  176 11 110
  189 2 20
  205 0.28 3
  206 99.99 999
  207 12 120
//