MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008129
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008129
RECORD_TITLE: (7Z,11Z)-7,11-HEXADECADIENOL; 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$NAME: (7Z,11Z)-7,11-HEXADECADIENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H30O
CH$EXACT_MASS: 238.22967
CH$SMILES: OCCCCCCC([H])=C([H])CCC([H])=C([H])CCCC
CH$IUPAC: InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3/b6-5+,10-9-
CH$LINK: INCHIKEY
ZWMPSFHVSWYKPO-QMRMAQATSA-N
AC$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: splash10-0apj-9000000000-4be0694bd51fb65df73b
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
41 48.52 485
42 3.9 39
43 15.14 151
51 1.13 11
52 1.63 16
53 9.2 92
54 27.06 271
55 99.99 999
56 2.83 28
57 9.11 91
65 2.6 26
66 2.54 25
67 60.11 601
68 16.46 165
69 22.62 226
70 8.14 81
71 4.69 47
73 2.46 25
77 1.75 18
79 11.07 111
80 10.61 106
81 64.37 644
82 30.27 303
83 9.9 99
84 3.3 33
85 3.58 36
91 3.09 31
93 6.02 60
94 2.13 21
95 26.71 267
96 30.49 305
97 19.18 192
98 3.12 31
99 2.17 22
107 3.3 33
109 5.46 55
110 4.92 49
111 2.25 23
121 2.73 27
122 1.79 18
123 8.9 89
124 4.06 41
136 1.37 14
137 3.21 32
138 2.65 27
163 1.01 10
168 1.07 11
222 1.01 10
238 5.22 52
//
system version 2.2.8-SNAPSHOT