MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004188
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004188
RECORD_TITLE: DICYCLOHEXYLAMINE; 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$NAME: DICYCLOHEXYLAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H23N
CH$EXACT_MASS: 181.18305
CH$SMILES: C(C2)CCC(C2)NC(C1)CCCC1
CH$IUPAC: InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2
CH$LINK: INCHIKEY
XBPCUCUWBYBCDP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6025018
AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-000i-9800000000-9b54187022cc8c872671
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
26 0.3 3
27 3.7 37
28 8 80
29 0.62 6
30 6.2 62
31 0.2 2
32 0.4 4
38 0.02 0
39 5.5 55
40 0.7 7
41 18.4 184
42 0.31 3
43 4 40
44 11.4 114
45 0.4 4
51 0.04 0
52 0.4 4
53 2.8 28
54 3.7 37
55 1.88 19
56 42 420
57 2.3 23
58 0.7 7
65 0.05 1
66 0.4 4
67 3.4 34
68 2.9 29
69 0.19 2
70 3.5 35
71 0.4 4
72 0.3 3
73 0.01 0
77 0.8 8
78 0.3 3
79 1.5 15
80 0.15 2
81 3.7 37
82 10 100
83 5.2 52
84 0.07 1
91 0.2 2
92 0.1 1
93 0.3 3
94 0.1 1
95 0.4 4
96 2.3 23
97 0.5 5
98 0.49 5
99 0.6 6
100 5.9 59
101 0.5 5
108 0.04 0
109 0.3 3
110 2.9 29
111 0.5 5
112 0.09 1
122 0.3 3
123 0.2 2
124 1.5 15
125 0.17 2
126 0.3 3
136 0.4 4
137 0.2 2
138 99.99 999
139 10 100
140 0.7 7
151 0.1 1
152 0.38 4
153 0.4 4
181 11.2 112
182 2 20
183 0.3 3
//