MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007957
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007957
RECORD_TITLE: (E)-3,7-DIMETHYL-2,6-OCTADIENE-1-YL ACETATE; CI-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$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIENE-1-YL ACETATE
CH$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$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV
PK$SPLASH: splash10-0a4i-9400000000-8fd84f9c1d50f54630ed
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
32 1.79 18
42 2.12 21
45 2.35 24
59 99.99 999
60 2.06 21
71 0.97 10
73 5.11 51
83 1.57 16
84 1.52 15
99 0.97 10
110 1.37 14
111 1.12 11
112 3 30
119 1.28 13
125 0.99 10
129 0.96 10
133 1.03 10
135 11.56 116
136 1.28 13
137 1.64 16
138 1.17 12
141 1.14 11
147 7.9 79
149 10.36 104
150 0.97 10
151 1.23 12
153 1.08 11
162 5.91 59
163 2.55 26
176 1.23 12
195 5.76 58
234 3.44 34
236 2.55 26
//
system version 2.2.6-SNAPSHOT