MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008146
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008146
RECORD_TITLE: (6Z,9Z)-6,9-PENTACOSADIENE; 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$NAME: (6Z,9Z)-6,9-PENTACOSADIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C25H48
CH$EXACT_MASS: 348.37560
CH$SMILES: CCCCCCCCCCCCCCCC([H])=C([H])CC([H])=C([H])CCCCC
CH$IUPAC: InChI=1S/C25H48/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19H,3-10,12,14-16,18,20-25H2,1-2H3/b13-11-,19-17-
CH$LINK: INCHIKEY
HEDSUJXTHUJEDT-OHNCOSGTSA-N
AC$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: splash10-00lu-9100000000-5c478290be64fe507b59
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
41 89.37 894
42 3.13 31
43 94.88 949
44 6.13 61
53 2.33 23
54 57.65 577
55 99.99 999
56 16.72 167
57 54.16 542
58 3.8 38
60 1.57 16
65 3.41 34
66 8.07 81
67 92.34 923
68 55.17 552
69 63.63 636
70 9.25 93
71 24.12 241
72 2.86 29
75 1.95 20
77 5.53 55
78 3.59 36
79 32.17 322
80 9 90
81 64.07 641
82 84.01 840
83 61.68 617
84 10.14 101
85 9.61 96
91 6.02 60
92 2.24 22
93 11.49 115
95 57.24 572
96 84.95 850
97 45.56 456
98 10.35 104
99 2.94 29
107 1.74 17
108 5.96 60
109 26.29 263
110 62.28 623
111 18.46 185
113 1.41 14
121 2.23 22
123 16.42 164
124 24.65 247
125 16.61 166
126 2.46 25
131 2.55 26
137 6.63 66
138 13.51 135
151 1.99 20
153 4.6 46
166 2.88 29
181 2.87 29
193 2 20
207 3.06 31
208 1.68 17
236 3.64 36
250 3.37 34
281 7.68 77
283 1.52 15
290 1.71 17
346 1.88 19
348 21.66 217
349 5.35 54
350 4.7 47
//
system version 2.2.8-SNAPSHOT