MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006383
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006383
RECORD_TITLE: HELIOTROPYL 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$NAME: HELIOTROPYL ACETATE
CH$NAME: 3,4-METHYLENEDIOXYBENZYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H10O4
CH$EXACT_MASS: 194.05791
CH$SMILES: CC(=O)OCc(c1)cc(O2)c(OC2)c1
CH$IUPAC: InChI=1S/C10H10O4/c1-7(11)12-5-8-2-3-9-10(4-8)14-6-13-9/h2-4H,5-6H2,1H3
CH$LINK: INCHIKEY
PFWYHTORQZAGCA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2025925
AC$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: splash10-0f76-4900000000-92da8e820031602709c7
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
15 3.05 31
27 1.2 12
29 2.27 23
38 2.09 21
39 7.93 79
42 1.45 15
43 28.89 289
50 5.94 59
51 18.96 190
52 1.68 17
53 2.78 28
62 2.72 27
63 8.13 81
64 2.07 21
65 14.25 143
66 1.87 19
67 3.12 31
74 1.3 13
75 1.22 12
76 13.01 130
77 22.65 227
78 3.36 34
79 5.02 50
91 1.34 13
93 11.2 112
94 2.18 22
104 10.45 105
105 10.1 101
106 1.34 13
121 3.5 35
122 10.86 109
123 4.94 49
134 38.48 385
135 99.99 999
136 9.21 92
149 4.45 45
150 1.54 15
151 7.52 75
152 56.02 560
153 4.44 44
194 63.59 636
195 7.24 72
//
system version 2.2.8-SNAPSHOT