MassBank Record: MSBNK-Washington_State_Univ-BML00789
ACCESSION: MSBNK-Washington_State_Univ-BML00789
RECORD_TITLE: 1,2,9,10-tetramethoxy-6-methyl-5,6-dihydro-4H-dibenzo[de,g]quinoline-7-carbaldehyde; LC-ESI-QTOF; MS2; CE 10 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 10 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 382
MS$FOCUSED_ION: PRECURSOR_M/Z 382.1649
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-0009000000-1b0f5bb5c204dbe9bc61
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
308.1266 48 10
323.117 27 6
323.1439 80 17
324.1126 31 7
338.1169 31 7
339.1371 50 10
351.1445 171 36
351.177 29 6
352.1162 82 17
352.1432 46 10
353.1624 71 15
354.1705 190 40
364.1541 99 21
365.1542 61 13
366.1366 130 27
367.1349 507 106
367.1827 51 11
381.1533 287 60
382.162 4762 999
//