MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004891
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004891
RECORD_TITLE: ETHYL 3-(1-BENZYLOXYETHYL)HEPTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL 3-(1-BENZYLOXYETHYL)HEPTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H28O3
CH$EXACT_MASS: 292.20384
CH$SMILES: CCCCC(CC(=O)OCC)C(C)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C18H28O3/c1-4-6-12-17(13-18(19)20-5-2)15(3)21-14-16-10-8-7-9-11-16/h7-11,15,17H,4-6,12-14H2,1-3H3
CH$LINK: INCHIKEY
GXWWTJCEMYRWCI-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000l-3900000000-83a20c40c60bd7ee396b
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
61 3 30
69 13.4 134
83 14.8 148
88 6.24 62
89 32.8 328
90 30.3 303
92 17.4 174
97 0.62 6
98 1.2 12
104 6.6 66
106 41.3 413
109 0.5 5
110 8 80
111 1.1 11
118 1.3 13
128 0.19 2
133 3.1 31
134 21.8 218
135 2.6 26
137 0.11 1
143 1.2 12
144 2.6 26
148 1.1 11
154 3.83 38
155 13.3 133
156 23.2 232
159 13.2 132
160 0.49 5
183 5.5 55
184 7.8 78
185 99.99 999
186 1.52 15
187 2.5 25
193 42.5 425
194 7.1 71
200 3.06 31
201 7.3 73
205 2 20
233 1.1 11
246 0.2 2
247 2.3 23
291 2.9 29
292 0.9 9
//