MassBank Record: MPR01611
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magnoflorine; LC-ESI-ITFT; MS2; pos; NIB-0572
Mass Spectrum
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Chemical Structure
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ACCESSION: MPR01611
RECORD_TITLE: magnoflorine; LC-ESI-ITFT; MS2; pos; NIB-0572
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-0572
COMMENT: NIB-0572(+)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.
237.091 605403.313 9
237.092 521534.813 8
251.104 642579.625 9
251.106 970419.438 14
251.107 959889.125 14
251.109 626063.813 9
253.083 916718.750 13
253.085 1513784.875 22
253.086 1626011.625 24
253.088 1155074.750 17
265.081 2472535.250 36
265.083 8997906.000 132
265.084 16744576.000 245
265.086 19930760.000 292
265.088 15833109.000 232
265.089 7961837.500 117
265.091 1999189.000 29
266.086 875756.125 13
266.088 1365885.500 20
266.090 1403894.125 21
266.091 951889.875 14
267.099 1062840.500 16
267.101 1502247.250 22
267.102 1397774.000 20
267.104 844818.000 12
269.115 686146.688 10
269.117 841742.063 12
269.119 685327.125 10
279.096 518392.813 8
279.098 2664152.500 39
279.099 5872622.500 86
279.101 7972190.500 117
279.103 7204785.500 106
279.105 4239966.500 62
279.106 1393183.375 20
280.102 579869.250 8
280.104 857690.000 13
280.106 838766.813 12
280.108 535031.938 8
281.114 593574.438 9
281.116 969569.938 14
281.118 1033753.375 15
281.120 732625.750 11
282.085 753845.813 11
282.087 1397066.875 20
282.089 1638609.500 24
282.091 1271747.875 19
282.092 612878.188 9
284.102 765410.875 11
284.104 1054370.750 15
284.105 965096.563 14
284.107 576837.500 8
285.110 979788.063 14
285.112 1244586.750 18
285.114 1039080.938 15
285.116 548152.500 8
297.104 771932.813 11
297.106 2006975.125 29
297.107 17037062.000 250
297.109 44395004.000 651
297.111 67729176.000 993
297.113 68155680.000 999
297.115 45369612.000 665
297.117 18012754.000 264
297.119 2755343.000 40
298.110 779852.188 11
298.112 2327768.250 34
298.114 3879445.500 57
298.116 4193278.500 61
298.118 2982414.250 44
298.120 1264623.250 19
299.122 1511923.750 22
299.124 5786549.500 85
299.125 11128274.000 163
299.127 13619265.000 200
299.129 11127326.000 163
299.131 5795418.500 85
299.133 1555685.000 23
300.128 796068.438 12
300.130 1016775.375 15
300.132 865805.000 13
310.142 641942.625 9
310.144 716353.063 11
310.146 530277.313 8
311.122 2987826.000 44
311.124 8139369.500 119
311.126 12784037.000 187
311.129 13201308.000 193
311.131 9041185.000 133
311.133 3734742.500 55
311.135 622872.625 9
312.128 1065697.625 16
312.130 1547508.875 23
312.132 1482822.875 22
312.134 928855.813 14
313.138 835428.500 12
313.141 1848381.250 27
313.143 2501905.250 37
313.145 2249987.750 33
313.147 1314011.250 19
//