MassBank Record: BML00811



 1,2,9,10-tetramethoxy-6-methyl-5,6-dihydro-4H-dibenzo[de,g]quinoline-7-carbaldehyde; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: BML00811
RECORD_TITLE: 1,2,9,10-tetramethoxy-6-methyl-5,6-dihydro-4H-dibenzo[de,g]quinoline-7-carbaldehyde; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
DATE: 2016.01.19 (2012.10.26)
AUTHORS: Cuthbertson DJInstitute of Biological Chemistry, Washington State University, Johnson SRInstitute of Biological Chemistry, Washington State University, Lange BMInstitute of Biological Chemistry, Washington State University, Institute of Biological Chemistry, Washington State University
LICENSE: CC BY-SA
COMMENT: relative retention time with respect to 9-anthracene Carboxylic Acid is 1.273

CH$NAME: 1,2,9,10-tetramethoxy-6-methyl-5,6-dihydro-4H-dibenzo[de,g]quinoline-7-carbaldehyde CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H23NO5 CH$EXACT_MASS: 381.157623 CH$SMILES: CN1CCC2=CC(=C(C3=C2C1=C(C4=CC(=C(C=C43)OC)OC)C=O)OC)OC CH$IUPAC: InChI=1S/C22H23NO5/c1-23-7-6-12-8-18(27-4)22(28-5)20-14-10-17(26-3)16(25-2)9-13(14)15(11-24)21(23)19(12)20/h8-11H,6-7H2,1-5H3 CH$LINK: CHEMSPIDER 901682 CH$LINK: PUBCHEM CID:1051535 CH$LINK: INCHIKEY IXHDNZKSQDEGGB-UHFFFAOYSA-N
AC$INSTRUMENT: Agilent 1200 RRLC; Agilent 6520 QTOF AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 ev AC$MASS_SPECTROMETRY: COLLISION_GAS N2 AC$MASS_SPECTROMETRY: SCANNING m/z 100-1000 AC$CHROMATOGRAPHY: COLUMN_NAME Agilent C8 Cartridge Column 2.1X30mm 3.5 micron (guard); Agilent SB-Aq 2.1x50mm 1.8 micron (analytical) AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 60 C AC$CHROMATOGRAPHY: FLOW_GRADIENT linear from 98A/2B at 0 min to 2A/98B at 13 min, hold 6 min at 2A/98B, reequilibration 98A/2B (5 min) AC$CHROMATOGRAPHY: FLOW_RATE 0.6 ml/min AC$CHROMATOGRAPHY: RETENTION_TIME 9.329 AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid
MS$FOCUSED_ION: BASE_PEAK 352 MS$FOCUSED_ION: PRECURSOR_M/Z 382.1649 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0pi3-0097000000-1dbd7b72a12e8d731faf PK$NUM_PEAK: 98 PK$PEAK: m/z int. rel.int. 191.0864 21 32 210.0888 32 49 218.0952 30 46 220.0766 23 35 221.0901 32 49 224.1 20 31 237.1052 34 52 238.0856 83 127 247.0639 22 34 247.1016 24 37 248.0657 28 43 248.0782 25 38 248.1024 32 49 249.0751 36 55 250.083 124 189 250.1268 26 40 251.087 76 116 252.0973 134 205 253.1028 31 47 259.1005 46 70 260.1036 29 44 262.0926 30 46 263.098 71 108 264.0636 22 34 264.0988 164 251 265.0701 72 110 265.1093 321 490 265.1462 21 32 266.0787 163 249 266.1152 36 55 274.0869 35 53 275.0921 48 73 276.0643 44 67 276.1049 53 81 277.0841 32 49 277.1067 79 121 278.0781 206 315 278.1022 106 162 279.0862 47 72 279.1195 63 96 280.0935 309 472 280.1159 42 64 280.1339 101 154 281.1009 128 196 288.1 39 60 289.1044 41 63 290.0732 55 84 290.1095 105 160 291.0838 153 234 291.1209 60 92 292.0934 171 261 292.1412 20 31 293.0611 23 35 293.1011 471 719 293.1457 23 35 294.0703 107 163 294.0862 78 119 294.1155 60 92 295.1198 160 244 295.1302 38 58 296.1235 161 246 306.0738 47 72 306.1068 165 252 307.1165 141 215 308.0929 487 744 308.1259 170 260 308.1591 27 41 309.0957 230 351 309.1474 31 47 310.1318 21 32 318.1074 73 112 319.0907 51 78 319.1142 54 82 320.0897 52 79 320.1326 37 57 321.0934 150 229 322.0898 40 61 322.1092 75 115 322.1365 33 50 323.1109 172 263 323.1507 21 32 324.1205 310 474 324.1443 27 41 333.1301 103 157 334.107 82 125 334.1369 33 50 336.0823 23 35 336.1216 126 192 337.0932 83 127 338.1365 74 113 348.1141 20 31 351.1012 25 38 352.1149 654 999 352.1409 39 60 352.1687 28 43 353.1521 30 46 366.1313 49 75 367.1382 57 87 //

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