MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005514
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005514
RECORD_TITLE: (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-OL
CH$NAME: GERANIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O
CH$EXACT_MASS: 154.13577
CH$SMILES: OCC([H])=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+
CH$LINK: CAS
106-24-1
CH$LINK: INCHIKEY
GLZPCOQZEFWAFX-JXMROGBWSA-N
CH$LINK: COMPTOX
DTXSID8026727
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014i-9100000000-3a5359aae818f9966cbd
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
28 1 10
29 2.5 25
41 34.8 348
42 0.18 2
43 2.3 23
53 1.1 11
55 3.9 39
56 0.15 2
57 3.5 35
59 3.4 34
67 5.6 56
68 2.01 20
69 99.99 999
70 7.1 71
71 6 60
72 0.11 1
78 0.6 6
79 1.9 19
80 6.6 66
81 0.52 5
82 1.1 11
83 2.5 25
84 8.3 83
85 0.2 2
86 0.4 4
91 1.1 11
92 3.4 34
93 1.61 16
94 2.7 27
95 1.9 19
96 3.3 33
97 0.16 2
98 1.4 14
105 0.6 6
107 1.8 18
108 0.07 1
109 1.3 13
110 1.3 13
111 6.6 66
112 0.13 1
121 5.7 57
122 0.6 6
123 10.3 103
136 0.41 4
137 0.5 5
139 2.2 22
154 2.6 26
//