MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006531
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006531
RECORD_TITLE: GERANYL VALERATE; 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$NAME: GERANYL VALERATE
CH$NAME: 3,7-DIMETHYL-2,6-OCTADIENYL PENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H26O2
CH$EXACT_MASS: 238.19328
CH$SMILES: CCCCC(=O)OCC=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C15H26O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3/b14-11+
CH$LINK: INCHIKEY
CVSWGLSBJFKWMW-SDNWHVSQSA-N
CH$LINK: COMPTOX
DTXSID30883126
AC$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: splash10-014l-9100000000-f157fa9066566c1aec77
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
27 6.27 63
28 1.66 17
29 14.01 140
39 7.71 77
40 2.39 24
41 50.73 507
42 2.71 27
43 3.24 32
53 8.64 86
55 6.95 70
57 31.16 312
58 1.24 12
65 1.2 12
66 1.05 11
67 11.23 112
68 55.06 551
69 99.99 999
70 5.46 55
77 1.57 16
79 2.62 26
80 16.8 168
81 8.42 84
82 1.13 11
84 1.41 14
85 41.21 412
86 1.94 19
91 1.52 15
92 8.26 83
93 37.74 377
94 7.15 72
95 2.09 21
107 6.15 62
108 1.78 18
121 19.9 199
122 1.73 17
123 2.53 25
136 16.99 170
137 2.56 26
154 1.48 15
169 1.03 10
//
system version 2.2.6-SNAPSHOT