MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008144
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008144
RECORD_TITLE: (6Z,9Z)-6,9-TRICOSADIENE; 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$NAME: (6Z,9Z)-6,9-TRICOSADIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C23H44
CH$EXACT_MASS: 320.34430
CH$SMILES: CCCCCCCCCCCCCC([H])=C([H])CC([H])=C([H])CCCCC
CH$IUPAC: InChI=1S/C23H44/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19H,3-10,12,14-16,18,20-23H2,1-2H3/b13-11-,19-17-
CH$LINK: INCHIKEY
QVTSRBNFHQATMF-OHNCOSGTSA-N
AC$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: splash10-00lv-9100000000-0bf407290f48e729789a
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
41 54.14 541
42 7.68 77
43 55.77 558
51 1.47 15
53 9.23 92
54 55.89 559
55 73.83 738
56 7.96 80
57 34.82 348
58 1.88 19
65 2.61 26
66 5.37 54
67 99.99 999
68 49.47 495
69 28.21 282
70 5.28 53
71 7.84 78
77 11.23 112
78 2.76 28
79 29.75 298
80 25.08 251
81 87.57 876
82 83.24 832
83 33.11 331
84 3.94 39
85 5.59 56
91 7.65 77
92 1.29 13
93 5.94 59
94 4.47 45
95 63.39 634
96 80.67 807
97 32.08 321
98 2.74 27
99 1.09 11
105 1.03 10
107 1.5 15
108 1.04 10
109 33.67 337
110 57.42 574
111 10.92 109
121 1.33 13
122 1.11 11
123 18.56 186
124 20.72 207
125 6.01 60
126 1.2 12
137 9.74 97
138 18.52 185
139 2.3 23
151 5.18 52
152 4.35 44
165 1.28 13
166 5.9 59
169 1.26 13
179 1.7 17
180 3.6 36
194 3.13 31
208 1.57 16
222 3.83 38
223 1.31 13
250 1.04 10
320 16.86 169
321 4.56 46
//
system version 2.2.8-SNAPSHOT