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
//