MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008143
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008143
RECORD_TITLE: (Z)-9-HEPTACOSENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: (Z)-9-HEPTACOSENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C27H54
CH$EXACT_MASS: 378.42255
CH$SMILES: CCCCCCCCCCCCCCCCCC([H])=C([H])CCCCCCCC
CH$IUPAC: InChI=1S/C27H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-27H2,1-2H3/b19-17-
CH$LINK: INCHIKEY
WWHBGRQNRIORRZ-ZPHPHTNESA-N
AC$INSTRUMENT: HITACHI M-80B
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: splash10-0a4l-9100000000-a1a648eb44f13c880399
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
41 44.74 447
42 11.04 110
43 99.99 999
53 3.82 38
54 18.31 183
55 77.13 771
56 35.78 358
57 95.83 958
58 5.81 58
65 1.23 12
66 2.84 28
67 20.72 207
68 14.86 149
69 66.63 666
70 34.55 346
71 47.64 476
72 2.82 28
79 3.38 34
80 1.77 18
81 13.19 132
82 25.64 256
83 87.49 875
84 26.6 266
85 30.3 303
86 1.54 15
93 1.38 14
95 9.13 91
96 18.33 183
97 76.95 770
98 16.44 164
99 9.66 97
109 3.69 37
110 6.67 67
111 40.06 401
112 13.76 138
113 5.66 57
123 2.65 27
124 5.49 55
125 17.78 178
126 6.35 64
127 2.96 30
137 1.51 15
138 3.35 34
139 6.76 68
140 6.2 62
141 2.36 24
152 1.6 16
153 4.48 45
154 3.24 32
166 1.71 17
167 4.19 42
168 2.48 25
180 1.38 14
181 1.76 18
182 1.73 17
195 1.44 14
196 1.37 14
210 1.08 11
223 1.23 12
224 1.04 10
378 6.48 65
379 2.32 23
//
system version 2.2.6-SNAPSHOT