MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007554
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007554
RECORD_TITLE: GERANYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: GERANYL ACETATE
CH$NAME: ACETIC ACID (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-OL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H20O2
CH$EXACT_MASS: 196.14633
CH$SMILES: CC(C)=CCCC(C)=CCOC(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: CAS
105-87-3
CH$LINK: INCHIKEY
HIGQPQRQIQDZMP-DHZHZOJOSA-N
CH$LINK: COMPTOX
DTXSID0020654
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014i-9200000000-b66d9ab15b5ecaec1155
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
55 2.54 25
68 61.16 612
69 99.99 999
80 24.56 246
85 9.28 93
92 12.16 122
93 45.85 459
107 7.15 72
108 3.23 32
121 21.98 220
123 3.54 35
136 25.59 256
137 3.03 30
154 3 30
//
system version 2.2.6-SNAPSHOT