MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010138
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010138
RECORD_TITLE: 5,9,13-TRIMETHYL-(8E,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$NAME: 5,9,13-TRIMETHYL-(8E,12)-TETRADECADIENE-5-OL
CH$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$LINK: INCHIKEY
SKBMBPGXVLGRGO-FOWTUZBSSA-N
AC$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-9300000000-7839df9e5538e68fdb24
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
27 4 40
29 8 80
39 4 40
41 4.8 48
42 2 20
43 31 310
45 10 100
53 0.6 6
55 32 320
56 3 30
57 11 110
58 0.6 6
59 4 40
67 17 170
68 8 80
69 99.99 999
70 6 60
71 9 90
79 4 40
80 0.2 2
81 77 770
82 9 90
83 15 150
85 0.9 9
91 2 20
93 13 130
94 3 30
95 4.9 49
96 6 60
97 10 100
101 19 190
107 0.6 6
108 2 20
109 52 520
110 6 60
111 0.3 3
113 3 30
121 13 130
122 4 40
123 2.8 28
124 3 30
125 2 20
135 2 20
136 2.3 23
137 8 80
139 2 20
149 2 20
165 4.6 46
166 6 60
177 13 130
178 2 20
191 1 10
234 17 170
235 3 30
//