ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011122
RECORD_TITLE: 9-PHENANTHRYLMETHYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SAWADA M, THE INST. OF SCIENTIFIC AND INDUSTRIALRESEARCH OSAKA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 9-PHENANTHRYLMETHYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₁₆O₂
CH$EXACT_MASS: 312.11503
CH$SMILES: c(c4)ccc(c4)C(=O)OCc(c1)c(c3)c(ccc3)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C22H16O2/c23-22(16-8-2-1-3-9-16)24-15-18-14-17-10-4-5-11-19(17)21-13-7-6-12-20(18)21/h1-14H,15H2
CH$LINK: INCHIKEY FWBGAUWDNWOMIK-UHFFFAOYSA-N

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$SPLASH: splash10-0a4l-2901000000-6ae6b1319df50e0a5eba
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  27 1.5 15
  29 3.8 38
  39 1.6 16
  40 6.5 65
  41 2.5 25
  43 2.5 25
  44 8.8 88
  50 2.5 25
  51 8.1 81
  55 1.8 18
  57 1.8 18
  76 1.6 16
  77 24 240
  78 2.2 22
  105 99.99 999
  106 8.5 85
  122 2.2 22
  139 1.3 13
  149 1.3 13
  150 1.6 16
  151 2.7 27
  152 2.2 22
  163 2.9 29
  164 1.6 16
  165 14.2 142
  166 1.8 18
  176 5.8 58
  177 4.9 49
  178 8.5 85
  179 8.3 83
  187 2.2 22
  188 2 20
  189 29.7 297
  190 16.4 164
  191 46.7 467
  192 10.8 108
  206 2.7 27
  207 4 40
  312 37.1 371
  313 9 90
//