MassBank Record: JP003359



 BIS(3,5-DIMETHYLBENZYL)ETHER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //