ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003359
RECORD_TITLE: BIS(3,5-DIMETHYLBENZYL)ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: BIS(3,5-DIMETHYLBENZYL)ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₂O
CH$EXACT_MASS: 254.16707
CH$SMILES: Cc(c1)cc(COCc(c2)cc(C)cc(C)2)cc(C)1
CH$IUPAC: InChI=1S/C18H22O/c1-13-5-14(2)8-17(7-13)11-19-12-18-9-15(3)6-16(4)10-18/h5-10H,11-12H2,1-4H3
CH$LINK: INCHIKEY DKOAVTNIQCNCKQ-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9000000000-12fe459f4a01f3ee2fc0
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  43 15.6 156
  44 4.7 47
  45 61.9 619
  57 33.1 331
  58 99.99 999
  59 4.5 45
  72 2.4 24
  73 0.25 3
  87 7.3 73
  89 5.7 57
  102 3.3 33
  103 2.04 20
  104 1.3 13
  131 1.3 13
  133 1.9 19
  147 0.9 9
//