MassBank Record: MPR01632
|
magnoflorine; LC-ESI-ITFT; MS2; pos; NIB-0593
Mass Spectrum
|
Chemical Structure
|
ACCESSION: MPR01632
RECORD_TITLE: magnoflorine; LC-ESI-ITFT; MS2; pos; NIB-0593
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-0593
COMMENT: NIB-0593(+)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 148510.313 8
251.104 163108.203 9
251.106 224513.969 13
251.107 205215.938 12
253.083 204185.609 12
253.085 331163.531 19
253.086 348421.344 20
253.088 242536.359 14
265.081 733102.625 41
265.083 2362672.250 133
265.084 4125885.500 233
265.086 4665342.000 264
265.088 3512749.500 198
265.089 1643186.375 93
265.091 355450.938 20
266.085 150633.344 9
266.086 388599.844 22
266.088 589049.563 33
266.090 585979.875 33
266.091 378047.781 21
266.093 134139.688 8
267.099 260778.125 15
267.101 348461.313 20
267.103 312532.813 18
267.104 182243.609 10
269.115 202543.641 11
269.117 229874.594 13
269.119 174522.328 10
279.096 171164.172 10
279.098 742893.500 42
279.099 1534273.375 87
279.101 1990020.500 112
279.103 1723293.625 97
279.105 963591.563 54
279.106 290491.344 16
280.102 229263.109 13
280.104 316782.344 18
280.106 290709.000 16
280.108 171655.703 10
281.114 133481.766 8
281.116 198187.156 11
281.118 196390.063 11
281.120 129427.359 7
282.085 184345.422 10
282.087 306809.813 17
282.089 336684.781 19
282.091 248377.938 14
284.102 173434.266 10
284.104 232185.094 13
284.106 205333.938 12
285.110 245701.484 14
285.112 303791.281 17
285.114 246787.484 14
297.104 177854.734 10
297.106 843597.063 48
297.108 5179835.500 293
297.109 12313972.000 696
297.111 17681754.000 999
297.113 16846068.000 952
297.115 10531272.000 595
297.117 3788270.000 214
297.119 412863.188 23
298.110 572105.063 32
298.112 1634239.875 92
298.114 2649458.750 150
298.116 2804033.250 158
298.118 1957483.750 111
298.120 813664.063 46
299.122 401244.625 23
299.124 1479886.875 84
299.125 2805360.500 158
299.127 3398641.000 192
299.129 2746901.250 155
299.131 1406237.625 79
299.133 358820.750 20
300.126 194062.391 11
300.128 397417.938 22
300.130 509234.344 29
300.132 436255.781 25
300.134 240967.125 14
310.142 168527.953 10
310.144 176756.563 10
311.122 895716.500 51
311.124 2288270.500 129
311.127 3463976.250 196
311.129 3469042.750 196
311.131 2297248.000 130
311.133 901781.375 51
311.135 129715.813 7
312.126 196792.844 11
312.128 468238.875 26
312.130 676322.750 38
312.132 648926.750 37
312.134 409426.031 23
312.136 149582.484 8
313.138 190118.578 11
313.141 412813.906 23
313.143 554777.563 31
313.145 496734.687 28
313.147 288439.094 16
//