ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004076
RECORD_TITLE: 3-ACETYLDIPHENYLETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 3-ACETYLDIPHENYLETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₂O₂
CH$EXACT_MASS: 212.08373
CH$SMILES: CC(=O)c(c2)cc(cc2)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C14H12O2/c1-11(15)12-6-5-9-14(10-12)16-13-7-3-2-4-8-13/h2-10H,1H3
CH$LINK: INCHIKEY FZCDBGYCFVKRDV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4067727

AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-0gvp-9620000000-b840992f12bf863ff3e8
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  37 1.4 14
  38 6.7 67
  39 24 240
  40 3.3 33
  41 1.3 13
  42 1 10
  43 75 750
  44 0.19 2
  50 21 210
  51 46 460
  52 3.4 34
  53 0.19 2
  55 1.4 14
  57.5 4.3 43
  62 3.6 36
  63 1.5 15
  64 10 100
  65 10 100
  66 2.8 28
  69.5 0.19 2
  70 1.8 18
  70.5 3.3 33
  74 5.2 52
  75 0.78 8
  76 14 140
  77 41 410
  84 1.9 19
  89 0.42 4
  90 1.1 11
  91 4.8 48
  92 5.5 55
  93 0.16 2
  94 8 80
  98 6.6 66
  98.5 12 120
  99 0.19 2
  102 1.1 11
  106 1.5 15
  114 1.2 12
  115 2.8 28
  116 3.1 31
  118 1.5 15
  139 6.8 68
  140 0.21 2
  141 52 520
  142 7 70
  143 5 50
  168 0.45 5
  169 16 160
  170 2.6 26
  183 1.1 11
  186 0.15 2
  196 1.9 19
  197 99.99 999
  198 15 150
  199 0.17 2
  211 0.9 9
  212 71 710
  213 11.5 115
  214 1.2 12
//