ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003791
RECORD_TITLE: 4-AZIDOBENZOIC ACID CYCLOHEXYL ESTER; CI-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: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-03dr-2920000000-22181eec282d23b92a95
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  65 0.76 8
  67 2.12 21
  69 2.73 27
  79 3.88 39
  80 0.69 7
  81 6.36 64
  82 2.15 22
  83 18.03 180
  84 1.86 19
  85 1.09 11
  90 2.66 27
  91 4.22 42
  92 4.87 49
  93 1.33 13
  107 2.91 29
  108 0.75 8
  117 3.39 34
  118 2.93 29
  119 2.78 28
  120 13.98 140
  121 1.68 17
  122 0.79 8
  134 0.98 10
  135 18.33 183
  136 8.41 84
  137 18.6 186
  138 31.95 320
  139 2.4 24
  146 6.3 63
  148 0.64 6
  149 0.54 5
  164 99.99 999
  166 10.71 107
  180 0.26 3
  190 0.57 6
  204 1.11 11
  206 1.23 12
  217 24.08 241
  218 9.61 96
  219 6.9 69
  220 7.73 77
  221 0.76 8
  246 4.68 47
  247 0.49 5
//