MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007955
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007955
RECORD_TITLE: (E)-3,7-DIMETHYL-2,6-OCTADIENE-1-YL BUTYRATE; 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$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIENE-1-YL BUTYRATE
CH$NAME: GERANYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H24O2
CH$EXACT_MASS: 224.17763
CH$SMILES: CCCC(=O)OCC([H])=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10+
CH$LINK: INCHIKEY
ZSBOMYJPSRFZAL-JLHYYAGUSA-N
CH$LINK: COMPTOX
DTXSID1047152
AC$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$SPLASH: splash10-000i-9100000000-1a037a23250f9f9b8845
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
45 6.58 66
59 9.83 98
73 1.98 20
85 1.31 13
87 99.99 999
88 4.66 47
100 3.27 33
101 2.92 29
112 1.18 12
114 0.96 10
123 1.93 19
125 1.16 12
135 8.39 84
138 0.97 10
149 3.22 32
176 1.08 11
179 1.36 14
223 3.35 34
//