MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008128
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008128
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-80
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-9000000000-37c19e78d6460c860b16
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
41 39.2 392
42 2.27 23
43 13.49 135
45 1.48 15
53 6.36 64
54 20.7 207
55 99.99 999
56 6.01 60
57 3.04 30
58 1.61 16
65 1.97 20
66 1.73 17
67 36.92 369
68 11.88 119
69 15.65 157
70 2.13 21
71 4.38 44
73 1.44 14
77 3.05 31
79 9.58 96
80 8.62 86
81 45.48 455
82 13.75 138
83 2.4 24
85 2.91 29
91 1.39 14
93 5.72 57
94 4.12 41
95 15.26 153
96 17.08 171
97 20.4 204
98 3.81 38
107 4.18 42
109 3.04 30
110 4.11 41
111 1.68 17
121 2.42 24
122 1.31 13
123 5.38 54
124 5.27 53
137 3.78 38
138 2.3 23
151 1.03 10
238 6.3 63
239 1.14 11
//
system version 2.2.8-SNAPSHOT