ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008157
RECORD_TITLE: NITROSODURENE; 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$NAME: NITROSODURENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₃NO
CH$EXACT_MASS: 163.09971
CH$SMILES: O=Nc(c(C)1)c(C)c(C)cc(C)1
CH$IUPAC: InChI=1S/C10H13NO/c1-6-5-7(2)9(4)10(11-12)8(6)3/h5H,1-4H3
CH$LINK: INCHIKEY UDOPFAXNNPAWQS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70372862

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$SPLASH: splash10-05nf-8900000000-850a7f6804240b10c092
PK$NUM_PEAK: 82
PK$PEAK: m/z int. rel.int.
  15 1.46 15
  18 3.68 37
  26 1.34 13
  27 17.23 172
  28 11.96 120
  29 5.2 52
  30 16.06 161
  32 2.94 29
  37 1.05 11
  38 4.03 40
  39 43.4 434
  40 5.99 60
  41 41.7 417
  42 2.63 26
  43 1.11 11
  47 0.98 10
  49 4.92 49
  50 8.35 84
  51 26.04 260
  52 9.81 98
  53 19.01 190
  54 1.88 19
  55 12.14 121
  61 1.19 12
  62 4.8 48
  63 16.73 167
  64 5.48 55
  65 23.61 236
  66 4.05 41
  67 5.02 50
  74 3.32 33
  75 4.66 47
  76 3.34 33
  77 36.57 366
  78 10.95 110
  79 19.24 192
  80 1.94 19
  81 1.04 10
  84 2.62 26
  86 2.11 21
  87 1.6 16
  88 0.87 9
  89 5.84 58
  90 2.18 22
  91 68.84 688
  92 8.19 82
  93 14.21 142
  94 2.18 22
  101 1.08 11
  102 4.36 44
  103 14.58 146
  104 4.19 42
  105 58.37 584
  106 6.33 63
  107 5.2 52
  108 1.06 11
  115 35.85 359
  116 16.27 163
  117 42.47 425
  118 28.78 288
  119 6.33 63
  120 24.53 245
  121 2.71 27
  127 1.88 19
  128 4.25 43
  129 3.35 34
  130 3.61 36
  131 9.91 99
  132 6.37 64
  133 99.99 999
  134 26.51 265
  135 19.71 197
  136 2.08 21
  144 2.68 27
  145 0.91 9
  146 4.6 46
  147 1.53 15
  148 1.54 15
  149 1.75 18
  162 9.77 98
  163 44.79 448
  164 5.18 52
//