MassBank Record: MPR01664

Mass Spectrum

Chemical Structure

ACCESSION: MPR01664
RECORD_TITLE: magnoflorine; LC-ESI-ITFT; MS2; neg; NIB-0749; [M-2H]-
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-0749
COMMENT: NIB-0749(-)magnoflorineMS2(340).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$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$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 340.15
MS$FOCUSED_ION: PRECURSOR_TYPE [M-2H]-
PK$NUM_PEAK: 100
PK$PEAK: m/z int. rel.int.
  211.617 1253.348 1
  211.618 1200.415 1
  282.085 1954.908 2
  282.086 3304.427 3
  282.088 3794.133 3
  282.090 3045.090 2
  282.092 1597.021 1
  295.058 991.107 1
  295.060 1080.513 1
  295.094 1447.799 1
  295.096 1685.977 1
  295.098 1398.142 1
  296.096 1012.639 1
  296.098 1523.969 1
  296.100 1504.504 1
  296.102 947.362 1
  310.101 1615.058 1
  310.103 4695.600 4
  310.105 7991.249 6
  310.107 9137.166 7
  310.109 7243.622 6
  310.111 3757.580 3
  310.113 978.647 1
  311.108 1233.838 1
  311.110 1383.758 1
  311.112 1100.520 1
  312.118 1272.210 1
  312.120 2346.621 2
  312.122 2889.146 2
  312.124 2465.706 2
  312.126 1392.908 1
  314.075 1029.619 1
  314.077 1446.522 1
  314.079 1400.168 1
  324.122 1030.181 1
  324.124 916.446 1
  325.043 1778.838 1
  325.046 2573.637 2
  325.048 4093.799 3
  325.050 5130.244 4
  325.052 4782.888 4
  325.054 2928.978 2
  325.057 1189.044 1
  325.070 1184.940 1
  325.083 1251.479 1
  325.088 1193.901 1
  325.090 1033.057 1
  325.092 1727.537 1
  325.094 3018.510 2
  325.096 3147.712 2
  325.099 2095.146 2
  325.101 2412.582 2
  325.103 1152.409 1
  325.105 2620.539 2
  325.112 3882.944 3
  325.114 1145.100 1
  325.116 7665.553 6
  325.119 1097.089 1
  325.121 18540.889 15
  325.123 176779.781 139
  325.125 552616.750 434
  325.127 1016417.688 798
  325.130 1271871.625 999
  325.132 1124345.250 883
  325.134 683245.563 537
  325.136 249546.516 196
  325.139 26446.992 21
  325.141 14062.921 11
  325.143 2842.646 2
  325.145 2178.111 2
  325.147 2480.070 2
  325.150 1393.300 1
  325.152 4642.968 4
  325.154 1021.426 1
  325.156 1709.195 1
  325.161 1094.680 1
  325.163 1204.668 1
  325.165 1320.682 1
  325.167 1325.135 1
  325.170 1371.155 1
  325.174 939.834 1
  325.194 1202.502 1
  325.196 1091.258 1
  325.205 2316.104 2
  325.207 4308.957 3
  325.209 5050.448 4
  325.212 4352.582 3
  325.214 2889.511 2
  325.216 1504.668 1
  325.220 1155.757 1
  326.124 1767.560 1
  326.126 13976.496 11
  326.129 43501.672 34
  326.131 79925.984 63
  326.133 99917.375 78
  326.135 88295.852 69
  326.138 53755.164 42
  326.140 19875.896 16
  326.142 2624.581 2
  326.144 1023.135 1
//