ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004899
RECORD_TITLE: ETHYL 3-(1-BENZYLOXYETHYL)-2-ETHOXYCARBONYL-5-HEXENOATE; 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$NAME: ETHYL 3-(1-BENZYLOXYETHYL)-2-ETHOXYCARBONYL-5-HEXENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₈O₅
CH$EXACT_MASS: 348.19367
CH$SMILES: CCOC(=O)C(C(=O)OCC)C(CC=C)C(C)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C20H28O5/c1-5-11-17(15(4)25-14-16-12-9-8-10-13-16)18(19(21)23-6-2)20(22)24-7-3/h5,8-10,12-13,15,17-18H,1,6-7,11,14H2,2-4H3
CH$LINK: INCHIKEY QVNMMSANRIWVCH-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 10 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03e9-2910000000-e6f4d3080c0cd517b9ff
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  69 4.2 42
  80 49.1 491
  83 3.9 39
  91 0.63 6
  92 1.9 19
  94 10.2 102
  95 3.2 32
  97 0.77 8
  98 32.1 321
  106 3.2 32
  107 4.7 47
  123 0.91 9
  127 5.7 57
  130 83.2 832
  131 9.2 92
  135 0.38 4
  137 1.1 11
  138 12.2 122
  141 11.7 117
  144 0.25 3
  145 11.3 113
  148 13.8 138
  149 2.5 25
  153 0.42 4
  160 99.99 999
  161 71.4 714
  164 4 40
  165 0.27 3
  167 1.3 13
  168 56.8 568
  169 5.4 54
  172 0.15 2
  173 22.9 229
  184 10.8 108
  188 6.4 64
  189 0.25 3
  193 1.6 16
  196 6.4 64
  201 3 30
  210 0.75 8
  214 4.2 42
  215 2.9 29
  240 35 350
  241 2.04 20
  242 8.2 82
  302 3.4 34
  349 4.7 47
//