MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004897
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004897
RECORD_TITLE: ETHYL 4-BENZYLOXY-2-ETHOXYCARBONYL-3-METHYLPENTANOATE; 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$NAME: ETHYL 4-BENZYLOXY-2-ETHOXYCARBONYL-3-METHYLPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H26O5
CH$EXACT_MASS: 322.17802
CH$SMILES: CCOC(=O)C(C(=O)OCC)C(C)C(C)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C18H26O5/c1-5-21-17(19)16(18(20)22-6-2)13(3)14(4)23-12-15-10-8-7-9-11-15/h7-11,13-14,16H,5-6,12H2,1-4H3
CH$LINK: INCHIKEY
BTIHIEFSRAFDKL-UHFFFAOYSA-N
AC$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: splash10-0006-9800000000-8186ebb889702b85855b
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
32 3.4 34
41 2.6 26
43 6.7 67
45 0.34 3
69 10.4 104
73 6.7 67
77 1.8 18
79 0.13 1
85 5.1 51
86 3.8 38
87 11.9 119
88 1.73 17
91 99.99 999
92 26.6 266
97 6.6 66
99 0.32 3
104 1.6 16
105 20.8 208
106 2.6 26
107 0.3 3
108 1.7 17
113 9.2 92
114 8.4 84
115 0.91 9
118 38.5 385
119 19.2 192
132 10.7 107
133 2.54 25
139 5.7 57
141 11.5 115
142 3.2 32
144 0.12 1
145 2.7 27
157 1.9 19
159 2.2 22
160 4.4 44
161 16.2 162
162 2.7 27
185 7 70
187 0.3 3
190 2.7 27
216 1.3 13
277 0.6 6
//