ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009657
RECORD_TITLE: ETHYL 3-PHENANTHRYLCARBOXYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 3-PHENANTHRYLCARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₄O₂
CH$EXACT_MASS: 250.09938
CH$SMILES: CCOC(=O)c(c3)cc(c(c3)1)c(c2)c(ccc2)cc1
CH$IUPAC: InChI=1S/C17H14O2/c1-2-19-17(18)14-10-9-13-8-7-12-5-3-4-6-15(12)16(13)11-14/h3-11H,2H2,1H3
CH$LINK: INCHIKEY XGGPWBCYWFCCES-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20277338

AC$INSTRUMENT: JEOL JMS-DX-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0zi0-4690000000-5cabad21242ce9b26bc1
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  26 3.7 37
  27 19.6 196
  28 18.2 182
  29 3.01 30
  30 1.7 17
  32 1 10
  38 1.1 11
  39 0.2 2
  42 1.4 14
  43 8.7 87
  44 1.1 11
  45 1.21 12
  50 2.1 21
  51 1.7 17
  62 1.2 12
  63 0.29 3
  74 3.3 33
  75 4 40
  76 1.9 19
  77 0.17 2
  86 1.4 14
  87 3.2 32
  88 15.8 158
  89 0.75 8
  98 1.9 19
  99 2.4 24
  100 1 10
  102 0.12 1
  103 5.9 59
  111 1 10
  125 1.5 15
  126 0.34 3
  127 1.2 12
  139 1.2 12
  149 2.8 28
  150 1.4 14
  151 21.4 214
  152 4.5 45
  163 1.7 17
  164 0.13 1
  165 3.2 32
  174 6.7 67
  175 9.9 99
  176 6.06 61
  177 66.8 668
  178 18.3 183
  179 2.8 28
  204 0.15 2
  205 70.3 703
  206 14.5 145
  207 1.7 17
  222 2.71 27
  223 4.7 47
  235 3.9 39
  249 1.4 14
  250 99.99 999
  251 19.5 195
  252 2.5 25
//