MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010139
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010139
RECORD_TITLE: 5,9,13-TRIMETHYL-(8Z,12)-TETRADECADIENE-5-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 5,9,13-TRIMETHYL-(8Z,12)-TETRADECADIENE-5-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H32O
CH$EXACT_MASS: 252.24532
CH$SMILES: CCCCC(C)(O)CCC([H])=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C17H32O/c1-6-7-13-17(5,18)14-9-12-16(4)11-8-10-15(2)3/h10,12,18H,6-9,11,13-14H2,1-5H3/b16-12-
CH$LINK: INCHIKEY
SKBMBPGXVLGRGO-VBKFSLOCSA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-067i-9400000000-276c6fb4e589fe9f1a5b
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
27 4 40
29 7 70
39 4 40
41 4.6 46
42 2 20
43 29 290
45 10 100
53 0.5 5
55 26 260
56 2 20
57 13 130
58 0.5 5
59 4 40
67 15 150
68 10 100
69 99.99 999
70 6 60
71 8 80
79 3 30
80 0.4 4
81 70 700
82 11 110
83 15 150
85 0.7 7
91 2 20
92 2 20
93 17 170
94 0.4 4
95 41 410
96 5 50
97 7 70
101 2.8 28
107 9 90
108 2 20
109 44 440
110 0.6 6
111 2 20
113 2 20
121 13 130
122 0.4 4
123 22 220
124 2 20
125 2 20
135 0.3 3
136 17 170
137 8 80
139 2 20
149 0.3 3
151 2 20
152 2 20
165 38 380
166 0.6 6
177 15 150
178 2 20
191 8 80
219 0.2 2
234 17 170
235 2 20
//