MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001822
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001822
RECORD_TITLE: DICYCLOHEXYLAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-052r-9800000000-b9af93fec53e937dfd80
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
27 2.46 25
28 5.25 53
29 4.12 41
30 4.12 41
39 3.32 33
41 14.83 148
42 1.99 20
43 3.92 39
44 9.44 94
53 1.99 20
54 2.39 24
55 14.69 147
56 44.22 442
57 1.86 19
67 2.46 25
68 1.99 20
69 1.2 12
70 2.66 27
79 1.06 11
81 3.06 31
82 7.98 80
83 4.39 44
96 1.4 14
98 3.99 40
100 5.32 53
110 2.33 23
125 1.06 11
138 99.99 999
139 10.31 103
152 3.06 31
181 11.64 116
182 1.53 15
//