MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007634
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007634
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: 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 15 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014i-9100000000-d8e4f64753ef594f6d40
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
41 11.4 114
56 1.1 11
57 3 30
59 6.6 66
67 0.33 3
68 21.7 217
69 99.99 999
70 7.4 74
71 0.6 6
72 2.1 21
79 1.5 15
80 14.3 143
81 0.66 7
82 1.5 15
83 2.7 27
84 16.3 163
85 0.32 3
94 5.4 54
95 2.5 25
96 6.9 69
97 0.26 3
98 3.2 32
108 1.2 12
109 2.1 21
110 2.6 26
111 1.53 15
112 2.9 29
121 11.4 114
122 1.2 12
123 2.15 22
124 2 20
136 9.6 96
137 1.2 12
139 0.53 5
154 5.6 56
//