MassBank Record: WA000103



 Tralkoxydim (isomer2); LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000103
RECORD_TITLE: Tralkoxydim (isomer2); LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Tralkoxydim (isomer2) CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H27NO3 CH$EXACT_MASS: 329.19909 CH$SMILES: CCONC(CC)=C(C(=O)2)C(=O)CC(C2)c(c(C)1)c(C)cc(C)c1 CH$IUPAC: InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3/b20-16- CH$LINK: CAS 87820-88-0
AC$INSTRUMENT: QuattroPremier XE, Waters AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$FOCUSED_ION: PRECURSOR_M/Z 330.3 MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-006t-9300000000-aaab6480641d5b461a2f PK$NUM_PEAK: 70 PK$PEAK: m/z int. rel.int. 52 8 8 54 51 51 55 98 98 65 27 27 66 24 24 67 486 486 69 47 47 72 854 854 73 8 8 77 27 27 79 39 39 80 8 8 82 176 176 84 31 31 85 12 12 91 71 71 93 153 153 96 999 999 97 654 654 99 8 8 102 8 8 105 133 133 106 12 12 107 47 47 110 165 165 111 43 43 113 8 8 115 12 12 117 31 31 118 12 12 119 51 51 122 74 74 124 24 24 126 8 8 128 20 20 129 67 67 131 8 8 133 161 161 135 71 71 136 12 12 138 137 137 139 8 8 143 24 24 145 67 67 147 24 24 149 24 24 152 47 47 154 12 12 155 24 24 158 16 16 164 16 16 166 20 20 167 8 8 169 20 20 171 12 12 173 16 16 179 20 20 181 24 24 183 8 8 186 8 8 192 27 27 194 24 24 195 16 16 197 8 8 207 27 27 209 24 24 210 12 12 224 16 16 226 8 8 235 8 8 //