MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002885
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002885
RECORD_TITLE: 1,10-DICYANO-DECANE; 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$NAME: 1,10-DICYANO-DECANE
CH$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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001j-9000000000-18698ec69f970b0e890a
PK$NUM_PEAK: 41
PK$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
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
109 3.78 38
110 32.14 321
111 6.11 61
124 9.1 91
138 2.83 28
149 2.79 28
152 16.82 168
153 2.39 24
163 4.28 43
191 2.29 23
//
system version 2.2.6-SNAPSHOT