MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006473
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006473
RECORD_TITLE: GERANYL FORMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: GERANYL FORMATE
CH$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIENYL FORMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H18O2
CH$EXACT_MASS: 182.13068
CH$SMILES: O=COCC([H])=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7+
CH$LINK: INCHIKEY
FQMZVFJYMPNUCT-YRNVUSSQSA-N
CH$LINK: COMPTOX
DTXSID0047614
AC$INSTRUMENT: HITACHI M-80B
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: splash10-014i-9000000000-7f8190dc24539d8010f8
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
27 6.43 64
29 6.88 69
31 1.34 13
39 10.09 101
40 2.87 29
41 50.19 502
42 2.8 28
43 2.77 28
51 1.57 16
53 9.08 91
57 2.46 25
65 1.73 17
66 1.12 11
67 8.49 85
68 21.34 213
69 99.99 999
70 6.21 62
77 2.17 22
79 2.32 23
80 3.47 35
81 3.27 33
85 1.05 11
91 1.49 15
92 2.19 22
93 7.92 79
94 1.46 15
107 1.42 14
121 4.18 42
123 1.2 12
136 11.54 115
137 1.67 17
139 1.06 11
//
system version 2.2.6-SNAPSHOT