ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003886
RECORD_TITLE: BIS-(4-AMINO-CYCLOHEXYL)-METHANE; 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$NAME: BIS-(4-AMINO-CYCLOHEXYL)-METHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₆N₂
CH$EXACT_MASS: 210.20960
CH$SMILES: NC(C2)CCC(C2)CC(C1)CCC(N)C1
CH$IUPAC: InChI=1S/C13H26N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h10-13H,1-9,14-15H2
CH$LINK: INCHIKEY DZIHTWJGPDVSGE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0024921

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a6r-9200000000-64d35070a9d4dee96e43
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  17 6 60
  28 46.7 467
  29 4 40
  30 1.02 10
  32 14.1 141
  41 9.5 95
  42 3.5 35
  43 2.72 27
  44 11.6 116
  53 3.6 36
  55 9.5 95
  56 99.99 999
  57 9.3 93
  67 9.1 91
  68 3.9 39
  69 0.75 8
  70 5 50
  77 4.1 41
  79 6.5 65
  80 0.5 5
  81 11.7 117
  82 8 80
  83 3.5 35
  91 0.38 4
  93 3.7 37
  94 6.1 61
  95 7.5 75
  96 1.49 15
  97 5.5 55
  98 4.2 42
  99 11.5 115
  106 0.39 4
  108 6.9 69
  109 3.4 34
  110 7.9 79
  111 0.3 3
  112 5 50
  138 6.1 61
  147 3.8 38
  164 0.63 6
  168 4.7 47
  176 10.7 107
  181 4.2 42
  192 1.45 15
  193 21.3 213
  194 6 60
  210 8.7 87
  211 3 30
//