ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011115
RECORD_TITLE: 4-PHENOXYBENZYL 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$NAME: 4-PHENOXYBENZYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₁₆O₃
CH$EXACT_MASS: 304.10994
CH$SMILES: O=C(OCc(c3)ccc(c3)Oc(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C20H16O3/c21-20(17-7-3-1-4-8-17)22-15-16-11-13-19(14-12-16)23-18-9-5-2-6-10-18/h1-14H,15H2
CH$LINK: INCHIKEY HFCGLKMZOCCWJM-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:101635022

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$SPLASH: splash10-0ke9-9803000000-ebb4f83a7d85836b7bee
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  27 3.1 31
  29 3.1 31
  38 1.3 13
  39 8.4 84
  41 1.8 18
  43 1.5 15
  44 3.5 35
  45 2.4 24
  50 8.8 88
  51 38.5 385
  52 4.4 44
  55 1.8 18
  63 4.4 44
  64 2 20
  65 10.3 103
  66 1.5 15
  69 1.5 15
  74 1.8 18
  75 2 20
  76 4.8 48
  77 99.99 999
  78 15.4 154
  79 1.3 13
  89 32.1 321
  90 5.9 59
  91 2.6 26
  92 1.1 11
  93 3.1 31
  94 2.2 22
  105 79.3 793
  106 10.1 101
  107 7.9 79
  115 9.2 92
  122 4 40
  127 1.5 15
  128 2.2 22
  129 2.2 22
  139 1.5 15
  141 8.4 84
  152 3.3 33
  153 5.5 55
  154 2.2 22
  155 5.5 55
  171 2 20
  181 4 40
  182 11.6 116
  183 62.9 629
  184 11 110
  197 8.8 88
  198 8.4 84
  199 4.4 44
  200 1.3 13
  304 73.4 734
  305 16.7 167
  306 2 20
//