ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008270
RECORD_TITLE: N-NITROSODICYCLOHEXYLAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: N-NITROSODICYCLOHEXYLAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂N₂O
CH$EXACT_MASS: 210.17321
CH$SMILES: O=NN(C(C2)CCCC2)C(C1)CCCC1
CH$IUPAC: InChI=1S/C12H22N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
CH$LINK: INCHIKEY CYMNKXLBEMEABS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4073128

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-053r-9000000000-37a09fe61bffa1190002
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  27 9.22 92
  28 4.76 48
  29 11.78 118
  30 7.58 76
  36 2.69 27
  39 10.72 107
  40 1.46 15
  41 43.46 435
  42 5.54 55
  43 6.73 67
  44 12.48 125
  47 5.88 59
  53 5.37 54
  54 11.67 117
  55 79.38 794
  56 11.39 114
  57 1.11 11
  67 13.72 137
  68 3.31 33
  69 2.91 29
  70 2.19 22
  79 2.42 24
  80 2.23 22
  81 10.1 101
  82 12.2 122
  83 99.99 999
  84 5.82 58
  94 1.12 11
  96 1.5 15
  97 0.47 5
  98 14.69 147
  99 1.34 13
  110 1.61 16
  111 3.46 35
  125 1.09 11
  128 6.87 69
  129 16.46 165
  130 1.03 10
  138 1.42 14
  180 0.7 7
  193 2.18 22
  210 11.32 113
  211 1.69 17
//