MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005371
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005371
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 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-008a-9300000000-567852ea0100554efab1
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
43 2.4 24
44 16 160
45 1.2 12
46 0.22 2
54 19.2 192
55 17.5 175
56 5.9 59
57 0.9 9
61 4.4 44
66 7.8 78
67 51.6 516
68 3.73 37
69 21.3 213
70 5.1 51
71 3.9 39
79 0.11 1
80 3.4 34
81 58.1 581
82 99.99 999
83 2.93 29
84 3.3 33
85 1.8 18
94 3.2 32
95 4.79 48
96 88.8 888
97 24.2 242
98 2.9 29
109 3.82 38
110 34.8 348
111 9.5 95
112 1.5 15
122 0.24 2
123 22.7 227
124 26.5 265
125 4.3 43
136 0.16 2
137 13.9 139
138 16.3 163
139 2.5 25
140 0.16 2
151 3.7 37
152 6.3 63
153 1.3 13
165 0.47 5
166 8.5 85
167 1.3 13
179 2 20
180 0.28 3
193 1.4 14
194 5.9 59
195 1.2 12
221 0.29 3
222 32.8 328
223 6.1 61
//