MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009948
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009948
RECORD_TITLE: 3,7,11,15-TETRAMETHYL-2E,6E,10E,14E-2,6,10,14-HEXADECATETRAEN-1-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$NAME: 3,7,11,15-TETRAMETHYL-2E,6E,10E,14E-2,6,10,14-HEXADECATETRAEN-1-OL
CH$NAME: GERANYL GERANIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H34O
CH$EXACT_MASS: 290.26097
CH$SMILES: OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15+
CH$LINK: INCHIKEY
OJISWRZIEWCUBN-QIRCYJPOSA-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$SPLASH: splash10-00kf-9200000000-9d615b455befc17956dd
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
27 4.5 45
29 7 70
39 7 70
40 0.06 1
41 57.8 578
42 2.3 23
43 10.6 106
53 1.09 11
55 23.4 234
57 3.9 39
65 3.1 31
67 1.88 19
68 11.7 117
69 99.99 999
70 8.3 83
71 0.2 2
77 9.4 94
78 1.3 13
79 17.3 173
80 0.47 5
81 51.6 516
82 5.8 58
83 3.1 31
84 0.45 5
91 13 130
92 4.4 44
93 45.3 453
94 0.63 6
95 18.4 184
96 1.6 16
97 2.3 23
105 1.17 12
106 2.3 23
107 19.5 195
108 3.1 31
109 1.09 11
119 15.3 153
120 10.9 109
121 10.9 109
122 0.31 3
123 7 70
131 1.6 16
132 4.7 47
133 1.25 13
134 6.3 63
135 12.5 125
136 5.3 53
137 0.55 6
145 1.9 19
146 1.6 16
147 5.5 55
148 0.23 2
149 1.9 19
159 3.1 31
161 5.9 59
162 0.16 2
187 2.6 26
189 2.2 22
191 2.1 21
203 0.29 3
204 1.5 15
272 3.3 33
//