MassBank Record: BML00800



 1,2,9,10-tetramethoxy-6-methyl-5,6-dihydro-4H-dibenzo[de,g]quinoline-7-carbaldehyde; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: BML00800
RECORD_TITLE: 1,2,9,10-tetramethoxy-6-methyl-5,6-dihydro-4H-dibenzo[de,g]quinoline-7-carbaldehyde; LC-ESI-QTOF; MS2; CE 20 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 20 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 367 MS$FOCUSED_ION: PRECURSOR_M/Z 382.1649 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0gc0-0009000000-3b5a118ac56731963bb7 PK$NUM_PEAK: 83 PK$PEAK: m/z int. rel.int. 260.0705 24 8 262.0846 20 6 263.09 23 7 264.1038 60 19 265.1041 112 36 279.1209 34 11 280.0954 39 12 281.1024 25 8 282.1059 28 9 283.1225 21 7 289.1175 20 6 292.0941 33 11 292.1324 24 8 293.1006 80 25 294.0854 36 11 295.0909 21 7 295.1272 78 25 296.1235 45 14 297.1098 27 9 302.0696 27 9 306.114 42 13 307.1282 75 24 308.1257 200 64 308.1487 38 12 309.1082 73 23 309.1403 30 10 312.1238 49 16 312.1432 20 6 318.1118 63 20 320.0851 34 11 320.126 21 7 321.1 88 28 322.1333 52 17 323.108 35 11 323.1498 381 121 323.1749 34 11 323.2025 31 10 324.1238 253 81 324.1753 25 8 333.134 252 80 334.1349 79 25 334.1546 32 10 335.1195 54 17 336.1181 199 63 337.1269 39 12 338.1369 161 51 339.1451 359 114 349.1277 60 19 350.1409 30 10 351.1427 1045 333 351.1906 55 18 351.2165 38 12 352.1148 1164 371 352.1503 84 27 352.1926 31 10 352.2198 25 8 352.3161 27 9 353.1603 286 91 353.2315 21 7 354.1658 323 103 354.1775 64 20 354.215 30 10 364.1527 306 97 364.1899 25 8 365.1554 184 59 365.1797 27 9 365.2162 25 8 366.1288 307 98 366.1838 25 8 367.1387 3136 999 367.2035 87 28 367.2352 42 13 367.2722 39 12 367.3118 47 15 367.36 21 7 367.4552 23 7 367.6039 22 7 367.7404 35 11 367.7712 40 13 368.1359 22 7 368.2494 22 7 381.1571 105 33 382.162 2168 691 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)