MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008366
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008366
RECORD_TITLE: GERANYL METHYL-ETHYL-ACETATE; 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$NAME: GERANYL METHYL-ETHYL-ACETATE
CH$NAME: GERANYL 2-METHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H26O2
CH$EXACT_MASS: 238.19328
CH$SMILES: CCC(C)C(=O)OCC=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+
CH$LINK: INCHIKEY
PEQMAZJTEUEQJP-JLHYYAGUSA-N
CH$LINK: COMPTOX
DTXSID50887489
AC$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-9100000000-34aeff53314662035675
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
27 5.2 52
29 14.16 142
39 7.26 73
40 1.9 19
41 48.65 487
42 2.37 24
43 3.69 37
53 8.57 86
55 6.02 60
56 1.53 15
57 65.29 653
58 2.53 25
65 1.4 14
66 1.1 11
67 12.66 127
68 51.2 512
69 99.99 999
70 5.34 53
77 1.73 17
79 3.82 38
80 19.87 199
81 11.73 117
82 1.19 12
84 1.24 12
85 28.25 283
86 1.44 14
91 1.69 17
92 9.71 97
93 41.26 413
94 7.46 75
95 2.95 30
96 1.14 11
107 7.33 73
108 2.38 24
121 22.33 223
122 2.03 20
123 2.57 26
136 20.71 207
137 4.03 40
154 1.58 16
169 1.67 17
//
system version 2.2.6-SNAPSHOT