ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003483
RECORD_TITLE: 4-AZIDOBENZOIC ACID CYCLOHEXYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 4-AZIDOBENZOIC ACID CYCLOHEXYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₅N₃O₂
CH$EXACT_MASS: 245.11643
CH$SMILES: [N-1]=[N+1]=Nc(c2)ccc(c2)C(=O)OC(C1)CCCC1
CH$IUPAC: InChI=1S/C13H15N3O2/c14-16-15-11-8-6-10(7-9-11)13(17)18-12-4-2-1-3-5-12/h6-9,12H,1-5H2
CH$LINK: INCHIKEY BNVZXSYEQNAJCR-UHFFFAOYSA-N

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00kr-7920000000-a83faa90d6f5163dbcaf
PK$NUM_PEAK: 88
PK$PEAK: m/z int. rel.int.
  39 0.73 7
  41 10.52 105
  43 2.36 24
  44 0.5 5
  52 1.83 18
  53 0.56 6
  54 5.83 58
  55 34.36 344
  56 1.57 16
  57 0.3 3
  63 3.47 35
  64 5.23 52
  65 2.17 22
  66 0.29 3
  67 7.17 72
  68 1.24 12
  69 1.26 13
  71 0.32 3
  78 1.2 12
  79 17.17 172
  80 4.49 45
  81 18.66 187
  82 5.27 53
  83 21.24 212
  84 3.33 33
  85 3.07 31
  89 3.26 33
  90 10.62 106
  91 26.89 269
  92 20.4 204
  93 7.25 73
  94 0.99 10
  95 0.33 3
  99 4.41 44
  100 0.17 2
  104 0.24 2
  105 1.14 11
  106 4.02 40
  107 22.49 225
  108 3.06 31
  109 0.56 6
  111 0.19 2
  117 22.65 227
  118 13.44 134
  119 11.19 112
  120 18.95 190
  121 3.04 30
  122 0.25 3
  123 0.33 3
  124 0.14 1
  129 0.12 1
  130 0.63 6
  131 0.13 1
  132 0.92 9
  133 0.27 3
  134 0.44 4
  135 99.99 999
  136 10.47 105
  137 33.19 332
  138 3.79 38
  139 0.4 4
  144 0.79 8
  145 0.11 1
  146 8.49 85
  147 0.91 9
  148 2.13 21
  149 2.97 30
  150 0.61 6
  160 0.15 2
  161 0.8 8
  162 0.68 7
  163 1.61 16
  164 1.33 13
  172 0.5 5
  174 2.34 23
  175 0.34 3
  176 0.4 4
  188 2.02 20
  189 1.16 12
  190 0.21 2
  202 0.79 8
  216 1.26 13
  217 48.43 484
  218 7.97 80
  219 5.34 53
  220 0.77 8
  245 4.73 47
  246 0.76 8
//