MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008318
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008318
RECORD_TITLE: N-UNDECYL CYANIDE; 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$NAME: N-UNDECYL CYANIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H23N
CH$EXACT_MASS: 181.18305
CH$SMILES: CCCCCCCCCCCC#N
CH$IUPAC: InChI=1S/C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-11H2,1H3
CH$LINK: INCHIKEY
VXCUURYYWGCLIH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1022188
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$SPLASH: splash10-0537-9100000000-3b4e31a5c64705882194
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
18 0.72 7
27 35.38 354
28 10.33 103
29 51.95 520
30 6.38 64
39 23.28 233
40 6.78 68
41 99.99 999
42 27.31 273
43 89.59 896
44 8.64 86
51 2.38 24
52 2.5 25
53 7.95 80
54 48.4 484
55 61.39 614
56 26.04 260
57 62.89 629
58 4.78 48
65 2.45 25
66 3.09 31
67 7.07 71
68 13.04 130
69 51.9 519
70 32.52 325
71 15.82 158
72 1.93 19
77 1.26 13
79 6.91 69
80 2.73 27
81 8.65 87
82 61.19 612
83 54.93 549
84 10.39 104
85 7.95 80
91 1.8 18
93 4.36 44
94 1.93 19
95 6.46 65
96 73.49 735
97 92.06 921
98 11.24 112
99 1.37 14
105 0.97 10
106 0.19 2
107 3.43 34
108 1.07 11
109 2.18 22
110 62.17 622
111 33.13 331
112 5.23 52
120 0.42 4
121 1.55 16
122 2.06 21
124 48.77 488
125 9.39 94
126 2.07 21
128 0.82 8
129 1.09 11
134 0.84 8
135 1.06 11
136 1.97 20
137 1.58 16
138 23.48 235
139 4.45 45
141 0.26 3
144 1.15 12
146 0.73 7
149 1.09 11
150 1.14 11
152 4.4 44
153 0.6 6
166 3.64 36
168 1.28 13
//