MassBank Record: JP003679



 1,2,3-TRIMETHOXY-1-PHENYLPROPANE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003679
RECORD_TITLE: 1,2,3-TRIMETHOXY-1-PHENYLPROPANE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: SASAKI STOYOHASHI UNIV. OF TECH., TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 1,2,3-TRIMETHOXY-1-PHENYLPROPANE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H18O3 CH$EXACT_MASS: 210.12559 CH$SMILES: COCC(OC)C(OC)c(c1)cccc1 CH$IUPAC: InChI=1S/C12H18O3/c1-13-9-11(14-2)12(15-3)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3 CH$LINK: INCHIKEY RTHWDOKITCVVIH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10342044
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-3900000000-da8c7aafd185037483e9 PK$NUM_PEAK: 65 PK$PEAK: m/z int. rel.int. 39 1.9 19 41 2.2 22 42 1.2 12 43 0.51 5 45 10 100 46 0.5 5 47 0.3 3 50 0.07 1 51 2.7 27 52 0.9 9 53 0.5 5 54 0.01 0 55 0.7 7 56 0.5 5 57 1 10 58 0.17 2 59 6.4 64 60 0.6 6 63 1.1 11 65 0.22 2 71 0.8 8 72 0.4 4 73 0.9 9 74 0.06 1 75 1 10 76 0.6 6 77 12.1 121 78 0.23 2 79 0.9 9 85 0.3 3 86 0.1 1 87 0.04 0 88 1.7 17 89 4.5 45 90 1.2 12 91 1.06 11 92 1.1 11 93 0.8 8 101 0.5 5 102 0.03 0 103 1.5 15 104 0.5 5 105 7.7 77 106 0.01 0 115 1.1 11 116 1 10 117 0.8 8 118 0.06 1 119 0.7 7 120 0.7 7 121 99.99 999 122 0.09 1 123 0.9 9 134 1.3 13 135 2.5 25 136 0.02 0 147 0.8 8 148 0.6 6 151 2.2 22 152 0.02 0 165 1.4 14 166 0.2 2 178 9.3 93 179 0.14 1 180 0.3 3 //

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