MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008316
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008316
RECORD_TITLE: 1,10-DICYANODECANE; 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$NAME: 1,10-DICYANODECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H20N2
CH$EXACT_MASS: 192.16265
CH$SMILES: N#CCCCCCCCCCCC#N
CH$IUPAC: InChI=1S/C12H20N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-10H2
CH$LINK: INCHIKEY
AVQYXBDAZWIFTO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00196513
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$SPLASH: splash10-001j-9100000000-0cb68a64a6f638730839
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
27 23.86 239
28 10.72 107
29 29.05 291
39 20.15 202
40 4.72 47
41 83.31 833
42 18.3 183
43 20.04 200
53 9.08 91
54 38.64 386
55 61.89 619
56 10.94 109
57 11.86 119
67 11.55 116
68 10.13 101
69 52.87 529
70 7.08 71
77 3.52 35
79 7.02 70
80 4.05 41
81 11.41 114
82 70.51 705
83 99.99 999
84 8.5 85
91 1.76 18
93 3.74 37
94 2.51 25
95 5.77 58
96 62.81 628
97 94.97 950
98 8.85 89
107 2.5 25
108 1.95 20
109 3.78 38
110 32.14 321
111 6.11 61
122 1.59 16
124 9.1 91
135 1.74 17
138 2.83 28
141 1.04 10
142 1.05 11
149 2.79 28
152 16.82 168
153 2.39 24
163 4.28 43
171 0.11 1
191 2.29 23
//