ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004891
RECORD_TITLE: ETHYL 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$NAME: ETHYL 3-(1-BENZYLOXYETHYL)HEPTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₈O₃
CH$EXACT_MASS: 292.20384
CH$SMILES: CCCCC(CC(=O)OCC)C(C)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C18H28O3/c1-4-6-12-17(13-18(19)20-5-2)15(3)21-14-16-10-8-7-9-11-16/h7-11,15,17H,4-6,12-14H2,1-3H3
CH$LINK: INCHIKEY GXWWTJCEMYRWCI-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$SPLASH: splash10-000l-3900000000-83a20c40c60bd7ee396b
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  61 3 30
  69 13.4 134
  83 14.8 148
  88 6.24 62
  89 32.8 328
  90 30.3 303
  92 17.4 174
  97 0.62 6
  98 1.2 12
  104 6.6 66
  106 41.3 413
  109 0.5 5
  110 8 80
  111 1.1 11
  118 1.3 13
  128 0.19 2
  133 3.1 31
  134 21.8 218
  135 2.6 26
  137 0.11 1
  143 1.2 12
  144 2.6 26
  148 1.1 11
  154 3.83 38
  155 13.3 133
  156 23.2 232
  159 13.2 132
  160 0.49 5
  183 5.5 55
  184 7.8 78
  185 99.99 999
  186 1.52 15
  187 2.5 25
  193 42.5 425
  194 7.1 71
  200 3.06 31
  201 7.3 73
  205 2 20
  233 1.1 11
  246 0.2 2
  247 2.3 23
  291 2.9 29
  292 0.9 9
//