MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007318
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007318
RECORD_TITLE: DICYCLOHEXYLAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$LINK: CAS
101-83-7
CH$LINK: INCHIKEY
XBPCUCUWBYBCDP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6025018
AC$INSTRUMENT: HITACHI RMU-6M
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-bf6991a5f5052b3dd840
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
27 3.56 36
28 5.5 55
29 5.38 54
30 5.47 55
39 4.05 41
41 16.93 169
42 2.14 21
43 3.86 39
44 9.59 96
53 2.32 23
54 2.58 26
55 15.14 151
56 37.51 375
57 1.74 17
67 2.4 24
68 2.24 22
69 1.42 14
70 3.04 30
79 1.18 12
80 1.04 10
81 3.6 36
82 7.21 72
83 4.43 44
96 1.78 18
98 5.06 51
100 5.83 58
110 2.42 24
124 1.2 12
125 1.8 18
138 99.99 999
139 10.8 108
152 3.26 33
180 1.18 12
181 15.4 154
182 2.2 22
//