MassBank Record: MPR01624
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magnoflorine; LC-ESI-ITFT; MS2; pos; NIB-0585
Mass Spectrum
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Chemical Structure
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ACCESSION: MPR01624
RECORD_TITLE: magnoflorine; LC-ESI-ITFT; MS2; pos; NIB-0585
DATE: 2015.10.20 (Created 2015.10.20)
AUTHORS: Research Center for Medicinal Plant Resources, NIBIOHN
LICENSE: CC BY-SA
COPYRIGHT: Copyright (c) Research Center for Medicinal Plant Resources, NIBIOHN
COMMENT: NIB-0585
COMMENT: NIB-0585(+)magnoflorineMS2.jdx
COMMENT: BOUI
CH$NAME: magnoflorine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C20H24NO4
CH$EXACT_MASS: 342.17053
CH$SMILES: COc(c4)c(O)c(c(c4)2)c(c(O)3)c(c1cc(OC)3)[C@]([H])(C2)[N+1](C)(C)CC1
CH$IUPAC: InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1
CH$LINK: CAS 2141-09-5
CH$LINK: KEGG C09581
CH$LINK: NIKKAJI J9.488I
AC$INSTRUMENT: LTQ Orbitrap XL, ThermoFisher Scientific
AC$INSTRUMENT_TYPE: LC-ESI-ITFT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35V
AC$MASS_SPECTROMETRY: COLLISION_GAS He
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 300 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 100 to 2000
AC$CHROMATOGRAPHY: COLUMN_NAME Thermo Fisher Scientific Hypersil GOLD C18 (2.1 x 100 mm x 1.9um)
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 C
AC$CHROMATOGRAPHY: FLOW_GRADIENT B = 2% (0 min) to 30 % (20 min) to 100 % (30 min) to 100 % (35 min)
AC$CHROMATOGRAPHY: FLOW_RATE 0.2 mL/min
AC$CHROMATOGRAPHY: SOLVENT A:0.1 % AcOH/H2O
AC$CHROMATOGRAPHY: SOLVENT B:0.1 % AcOH/CH3CN
MS$FOCUSED_ION: PRECURSOR_M/Z 342.17
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
PK$NUM_PEAK: 100
PK$PEAK: m/z int. rel.int.
237.090 557720.063 9
237.092 491463.844 8
251.104 547126.500 9
251.106 855664.375 14
251.107 880215.125 15
251.109 596929.313 10
253.083 760290.813 13
253.084 1280249.125 21
253.086 1401543.500 23
253.087 1013957.750 17
265.081 1972719.250 33
265.082 7198488.500 120
265.084 13731142.000 228
265.086 16762850.000 279
265.087 13671770.000 227
265.089 7082522.500 118
265.091 1833896.375 31
266.086 660658.438 11
266.088 1073650.250 18
266.089 1135038.750 19
266.091 785648.750 13
267.099 928510.063 15
267.101 1340491.875 22
267.102 1275557.375 21
267.104 789657.125 13
269.115 645870.813 11
269.117 802540.188 13
269.118 662366.625 11
279.097 2008227.750 33
279.099 4626938.500 77
279.101 6533287.500 109
279.103 6136531.000 102
279.104 3770898.250 63
279.106 1311342.250 22
280.102 451126.969 8
280.104 681891.938 11
280.106 672893.875 11
281.114 457218.563 8
281.116 743848.750 12
281.117 792304.750 13
281.119 558381.063 9
282.085 674099.563 11
282.087 1241014.375 21
282.088 1475993.000 25
282.090 1168469.875 19
282.092 576143.438 10
284.102 557822.250 9
284.103 804544.375 13
284.105 762966.063 13
284.107 471556.250 8
285.110 744166.188 12
285.112 975350.687 16
285.113 836018.063 14
285.115 451626.625 8
297.096 474406.844 8
297.105 1770453.500 29
297.107 13708161.000 228
297.109 36832680.000 613
297.111 57941192.000 964
297.113 60056348.000 999
297.115 41257672.000 686
297.117 16985056.000 283
297.119 2625054.250 44
297.121 593217.313 10
297.126 501798.531 8
298.110 635679.188 11
298.112 1964542.000 33
298.114 3346839.500 56
298.116 3683387.750 61
298.117 2664213.250 44
298.119 1145528.875 19
299.121 1241228.375 21
299.123 4813430.500 80
299.125 9533559.000 159
299.127 12007695.000 200
299.129 10105232.000 168
299.131 5443378.000 91
299.133 1517032.625 25
300.128 711886.125 12
300.130 910704.625 15
300.132 782785.750 13
310.142 558842.500 9
310.144 627456.000 10
310.146 466626.031 8
311.122 2501192.000 42
311.124 6866816.500 114
311.126 10976434.000 183
311.128 11546854.000 192
311.130 8064298.500 134
311.132 3397599.500 57
311.134 554330.813 9
312.128 955722.875 16
312.130 1421259.625 24
312.132 1396139.250 23
312.134 893905.438 15
313.138 727596.188 12
313.140 1656735.500 28
313.142 2306591.000 38
313.144 2134009.250 35
313.146 1285131.750 21
//