MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004894
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004894
RECORD_TITLE: ETHYL 2-ETHOXYCARBONYL-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$NAME: ETHYL 2-ETHOXYCARBONYL-3-(1-BENZYLOXYETHYL)HEPTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H32O5
CH$EXACT_MASS: 364.22497
CH$SMILES: CCCCC(C(C)OCc(c1)cccc1)C(C(=O)OCC)C(=O)OCC
CH$IUPAC: InChI=1S/C21H32O5/c1-5-8-14-18(16(4)26-15-17-12-10-9-11-13-17)19(20(22)24-6-2)21(23)25-7-3/h9-13,16,18-19H,5-8,14-15H2,1-4H3
CH$LINK: INCHIKEY
OTGVROSSWUCGBU-UHFFFAOYSA-N
AC$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: splash10-03di-1920000000-d647e8c2230ea89d2fc8
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
81 1.5 15
91 35.1 351
92 15.1 151
96 0.27 3
104 1.3 13
105 7.3 73
109 1.9 19
115 0.94 9
132 3.1 31
133 19.6 196
135 4.1 41
137 2.28 23
146 1 10
147 6.3 63
148 4.2 42
155 1.63 16
158 1 10
160 99.99 999
161 66.3 663
162 0.89 9
163 1.8 18
183 29.2 292
184 3.1 31
201 0.27 3
204 9.8 98
205 1 10
227 23 230
228 0.27 3
229 33.9 339
232 2.7 27
233 1.1 11
257 0.51 5
258 3.4 34
273 7.9 79
319 6.3 63
365 4.2 42
//