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
//