MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008337
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008337
RECORD_TITLE: DODECAMETHYLENE IMINE; 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$NAME: DODECAMETHYLENE IMINE
CH$NAME: 1-AZACYCLOTRIDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H25N
CH$EXACT_MASS: 183.19870
CH$SMILES: C(C1)CCCCCNCCCCC1
CH$IUPAC: InChI=1S/C12H25N/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h13H,1-12H2
CH$LINK: INCHIKEY
UFADJPZTTUWZMP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10183696
AC$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: splash10-001l-9100000000-d290b57f5726e7233199
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
15 2.94 29
27 14.22 142
29 33.25 333
30 99.99 999
31 48.44 484
39 5.52 55
41 34.79 348
42 21.28 213
43 27.43 274
44 63.52 635
45 19.35 194
54 1.27 13
55 14.16 142
56 42.96 430
57 10.36 104
58 4.42 44
59 20.98 210
67 3.84 38
68 2.85 29
69 4.07 41
70 27.59 276
71 4.81 48
72 13.75 138
73 2.35 24
74 9.91 99
81 3.22 32
82 5.84 58
83 0.96 10
84 9.6 96
85 1.38 14
86 10.69 107
95 1.84 18
96 4.97 50
97 1.24 12
98 9.37 94
99 1.09 11
100 6.82 68
109 0.56 6
110 1.39 14
112 10.73 107
114 3.33 33
126 8.35 84
128 2.06 21
140 10.42 104
142 5.33 53
154 4.44 44
168 1.17 12
182 2.72 27
183 16.1 161
184 2 20
//
system version 2.2.6-SNAPSHOT