MassBank Record: JP000748



 TRIDEUTEROMETHYL EUGENOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000748
RECORD_TITLE: TRIDEUTEROMETHYL EUGENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: TRIDEUTEROMETHYL EUGENOL CH$NAME: 1-ALLYL-3-METHOXY-4-(2H(3))METHOXYBENZENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H14O2 CH$EXACT_MASS: 178.09938 CH$SMILES: C=CCc(c1)cc(OC)c(OC([2H])([2H])[2H])c1 CH$IUPAC: InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3/i2D3
AC$INSTRUMENT: HITACHI RMS-4 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 80 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001i-6900000000-7eab85ab8f89486d0c67 PK$NUM_PEAK: 55 PK$PEAK: m/z int. rel.int. 50 15 150 51 27 270 52 9 90 55 1.4 14 56 3 30 57 6 60 63 14 140 64 0.5 5 65 21 210 66 10 100 75 20 200 76 1.1 11 77 41 410 78 17 170 79 24 240 89 0.1 1 90 8 80 91 52 520 92 18 180 93 0.6 6 95 6 60 103 48 480 104 10 100 105 0.5 5 106 10 100 107 35 350 108 2 20 109 0.2 2 115 10 100 116 12 120 117 8 80 118 0.1 1 119 7 70 120 13 130 121 1.5 15 129 0.15 2 131 22 220 132 6 60 134 1 10 135 1.4 14 136 1 10 138 1.5 15 146 5 50 147 3.1 31 148 1 10 149 7 70 152 1 10 153 0.5 5 163 45 450 164 3 30 166 7 70 179 0.6 6 180 53 530 181 99.99 999 182 1 10 //