MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006981
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006981
RECORD_TITLE: GERANYL ISOBUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: GERANYL ISOBUTYRATE
CH$NAME: 3,7-DIMETHYL-2,6-OCTADIENYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H24O2
CH$EXACT_MASS: 224.17763
CH$SMILES: CC(C)=CCCC(C)=CCOC(=O)C(C)C
CH$IUPAC: InChI=1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9+
CH$LINK: INCHIKEY
OGJYXQFXLSCKTP-UKTHLTGXSA-N
CH$LINK: COMPTOX
DTXSID8051889
AC$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-9000000000-8e78ac6db5b26d52fea5
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
27 11.47 115
29 4.49 45
39 10.78 108
40 3.34 33
41 55.73 557
42 3.79 38
43 54.33 543
44 1.66 17
51 1.04 10
53 10.51 105
54 1.14 11
55 4.92 49
65 1.6 16
66 1.02 10
67 12.33 123
68 44.6 446
69 99.99 999
70 5.54 55
71 35.93 359
72 1.45 15
77 2 20
79 3.69 37
80 14.5 145
81 8.8 88
85 1.06 11
91 1.96 20
92 6.63 66
93 29.82 298
94 5.43 54
95 2.13 21
107 4.51 45
108 1.44 14
121 15.36 154
122 1.39 14
123 1.97 20
136 13.36 134
137 2.3 23
154 1.22 12
155 1.28 13
//
system version 2.2.6-SNAPSHOT