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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)

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 (Created 2012.10.26)
AUTHORS: Cuthbertson DJ, Johnson SR, Lange BM, 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
//

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