MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006385
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006385
RECORD_TITLE: ISOEUGENYL ACETATE; 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$NAME: ISOEUGENYL ACETATE
CH$NAME: 4-(1-PROPENYL)-2-METHOXYPHENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H14O3
CH$EXACT_MASS: 206.09429
CH$SMILES: CC=Cc(c1)cc(OC)c(OC(C)=O)c1
CH$IUPAC: InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4+
CH$LINK: INCHIKEY
IUSBVFZKQJGVEP-SNAWJCMRSA-N
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$SPLASH: splash10-03di-5900000000-b016880787407ead4e15
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
15 3.51 35
18 2.61 26
27 1.62 16
39 5.03 50
40 1.31 13
41 2.08 21
42 1.27 13
43 22.79 228
50 1.79 18
51 4.14 41
52 1.75 18
53 2.28 23
55 5.65 57
63 3.12 31
64 1.17 12
65 5.36 54
66 1.78 18
77 10.04 100
78 2.75 28
79 3.61 36
89 1.71 17
91 14.72 147
92 1.94 19
93 1.46 15
102 1.01 10
103 9 90
104 5.93 59
105 2.92 29
107 3.32 33
115 2.02 20
121 5.25 53
131 9.14 91
132 2.57 26
133 6.32 63
137 1.86 19
147 1.55 16
149 17.14 171
150 1.73 17
163 3.16 32
164 99.99 999
165 10.22 102
206 9.59 96
207 1.31 13
//