MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005794
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005794
RECORD_TITLE: (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL PROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL PROPIONATE
CH$NAME: GERANYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H22O2
CH$EXACT_MASS: 210.16198
CH$SMILES: CCC(=O)OCC([H])=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+
CH$LINK: INCHIKEY
BYCHQEILESTMQU-FMIVXFBMSA-N
CH$LINK: COMPTOX
DTXSID8051540
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-00kf-9200000000-73b9877230faa7aab525
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
51 4.94 49
52 2.3 23
53 10.09 101
54 1.19 12
55 6.17 62
56 2 20
57 20.82 208
58 1.41 14
63 1.27 13
65 5.33 53
66 2.05 21
67 17.12 171
68 33.72 337
69 51.65 517
70 3.28 33
73 10.45 105
74 15.4 154
75 1 10
77 21.79 218
78 4.11 41
79 22.93 229
80 18.15 182
81 7.5 75
82 2.05 21
85 2.08 21
91 24.32 243
92 20.35 204
93 99.99 999
94 14.51 145
95 3.3 33
103 1.33 13
105 8.92 89
106 2.66 27
107 11 110
108 2.72 27
109 1.27 13
115 1.3 13
117 1.27 13
119 3.86 39
120 0.97 10
121 28.49 285
122 2.5 25
123 1.33 13
136 26.93 269
137 3.19 32
154 0.88 9
159 1.69 17
//