MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005792
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005792
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: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
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$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-00kf-9200000000-4a8a23071f388f446451
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
51 4.08 41
52 2.42 24
53 9.53 95
54 1.04 10
55 8.6 86
57 0.96 10
59 1.61 16
63 1.09 11
65 4.25 43
66 1.63 16
67 17.68 177
68 25.32 253
69 55.7 557
70 4.06 41
71 4.82 48
77 20.58 206
78 3.16 32
79 22.17 222
80 17.59 176
81 7.9 79
82 1.37 14
83 1.79 18
84 3.14 31
91 23.85 239
92 17.39 174
93 99.99 999
94 12.55 126
95 2.72 27
96 1.74 17
97 1 10
103 1.48 15
105 8.64 86
106 2.81 28
107 8.05 81
108 1.85 19
109 1.17 12
111 2.16 22
115 0.96 10
117 1.11 11
119 3.33 33
121 25.86 259
122 3.03 30
123 2.99 30
136 22.78 228
137 2.61 26
154 0.98 10
//
system version 2.2.6-SNAPSHOT