MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005793
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005793
RECORD_TITLE: (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL ACETATE; 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$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL ACETATE
CH$NAME: GERANYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H20O2
CH$EXACT_MASS: 196.14633
CH$SMILES: CC(C)=CCCC(C)=C([H])COC(C)=O
CH$IUPAC: InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
CH$LINK: INCHIKEY
HIGQPQRQIQDZMP-DHZHZOJOSA-N
CH$LINK: COMPTOX
DTXSID0020654
AC$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-9200000000-47ea814eba89b6d74c80
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
51 4.02 40
52 1.95 20
53 10.89 109
54 0.99 10
55 7.32 73
60 18.44 184
63 1.13 11
65 5.13 51
66 1.68 17
67 19.52 195
68 37.92 379
69 64.09 641
70 3.94 39
77 21.01 210
78 4.01 40
79 23.76 238
80 22.34 223
81 8.69 87
82 1.47 15
84 1.39 14
85 2.99 30
91 23.93 239
92 20.26 203
93 99.99 999
94 14.02 140
95 3.14 31
103 1.38 14
105 8.73 87
106 2.71 27
107 9.1 91
108 2.24 22
109 1.04 10
115 0.96 10
117 1.09 11
119 3.77 38
121 30.81 308
122 2.87 29
123 1.38 14
127 0.95 10
136 28.73 287
137 3.11 31
//