MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006911
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006911
RECORD_TITLE: GERANYL PROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: GERANYL PROPIONATE
CH$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIENYL 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: 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-9100000000-03915bc43c28d42c8c14
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
27 7.05 71
29 19.33 193
39 6.41 64
40 1.79 18
41 40.89 409
42 2.24 22
43 2.26 23
53 7.92 79
54 1.11 11
55 3.62 36
57 55.87 559
58 1.81 18
65 1.33 13
67 10.66 107
68 43.97 440
69 99.99 999
70 5.52 55
77 1.62 16
79 2.48 25
80 12.59 126
81 6.74 67
84 1.86 19
85 4.4 44
91 1.67 17
92 6.33 63
93 26.75 268
94 4.88 49
95 1.92 19
107 4.54 45
108 1.42 14
121 15.81 158
122 1.28 13
123 2.13 21
136 16.82 168
137 2.6 26
141 1.36 14
154 1.62 16
//
system version 2.2.6-SNAPSHOT