MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005370
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005370
RECORD_TITLE: (Z)-7-HEXADECENYL ACETATE; 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$NAME: (Z)-7-HEXADECENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H34O2
CH$EXACT_MASS: 282.25588
CH$SMILES: CCCCCCCCC([H])=C([H])CCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h10-11H,3-9,12-17H2,1-2H3/b11-10-
CH$LINK: INCHIKEY
QVXFGVVYTKZLJN-KHPPLWFESA-N
AC$INSTRUMENT: SHIMADZU QP-1000
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: splash10-00kg-9100000000-88a8e6bacc340e3496b7
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
41 8 80
42 1.8 18
43 48.7 487
44 99.99 999
45 13.9 139
46 59.4 594
47 1.5 15
54 2.7 27
55 48.5 485
56 11.9 119
57 17.9 179
58 0.66 7
59 8.3 83
61 8.3 83
65 1.5 15
66 0.42 4
67 45.5 455
68 24.4 244
69 25.4 254
70 0.77 8
71 5.6 56
72 3 30
73 7.7 77
75 0.13 1
77 1.5 15
79 5.2 52
80 3.5 35
81 3.47 35
82 42.7 427
83 17.7 177
84 3 30
85 0.19 2
86 2.3 23
87 6.2 62
88 2.3 23
89 1 10
93 1.5 15
94 1.8 18
95 25.1 251
96 3.48 35
97 12.8 128
98 2.2 22
101 2.1 21
102 0.22 2
103 4.7 47
108 3 30
109 17.6 176
110 1.33 13
111 5.1 51
112 1.1 11
117 1.3 13
122 0.15 2
123 8.5 85
124 9 90
125 2.2 22
131 0.13 1
133 3.8 38
137 4.7 47
138 5.3 53
147 0.14 1
151 1.4 14
165 1.6 16
166 2.6 26
194 0.22 2
222 9.8 98
223 1.9 19
//