MassBank Record: MPR01635

Mass Spectrum

Chemical Structure

ACCESSION: MPR01635
RECORD_TITLE: magnoflorine; LC-ESI-ITFT; MS2; neg; NIB-0256; [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-0256
COMMENT: NIB-0256(-)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.
  267.065 1262.130 1
  267.067 1079.116 1
  282.085 1960.553 2
  282.087 3700.197 3
  282.088 4650.976 4
  282.090 4086.458 3
  282.092 2420.126 2
  296.098 1275.670 1
  296.100 1432.202 1
  296.102 1117.323 1
  310.101 1480.533 1
  310.103 4980.311 4
  310.105 9327.847 8
  310.107 11721.292 9
  310.109 10306.614 8
  310.111 6107.900 5
  310.113 1986.830 2
  311.108 1744.245 1
  311.110 2394.477 2
  311.112 2262.589 2
  311.114 1428.580 1
  312.120 2150.089 2
  312.122 2944.655 2
  312.124 2835.890 2
  312.127 1895.892 2
  314.077 1323.247 1
  314.079 1334.639 1
  324.122 1162.584 1
  324.124 1135.199 1
  325.039 1073.120 1
  325.041 1243.539 1
  325.043 1875.053 2
  325.046 3248.454 3
  325.048 4833.704 4
  325.050 5688.240 5
  325.052 5325.882 4
  325.055 3586.750 3
  325.057 1457.162 1
  325.066 1109.868 1
  325.074 1333.397 1
  325.083 1227.586 1
  325.090 1471.529 1
  325.092 2103.415 2
  325.094 2551.188 2
  325.097 4217.069 3
  325.099 2096.263 2
  325.103 1278.603 1
  325.105 3019.794 2
  325.112 4777.996 4
  325.114 4346.565 4
  325.117 3430.678 3
  325.119 2793.924 2
  325.121 10465.571 8
  325.123 116890.383 95
  325.125 435323.969 352
  325.128 897536.063 727
  325.130 1234084.625 999
  325.132 1195896.375 968
  325.134 807862.062 654
  325.136 345632.031 280
  325.139 62537.473 51
  325.141 16032.548 13
  325.143 1478.910 1
  325.145 5204.964 4
  325.152 4939.401 4
  325.154 2388.876 2
  325.156 1413.793 1
  325.161 3135.673 3
  325.163 1587.804 1
  325.167 1293.216 1
  325.170 1759.672 1
  325.172 1607.481 1
  325.174 1990.326 2
  325.179 1309.678 1
  325.187 1384.699 1
  325.205 2231.561 2
  325.207 3825.590 3
  325.210 5362.774 4
  325.212 5652.762 5
  325.214 4515.935 4
  325.216 2803.221 2
  325.218 1683.680 1
  326.124 1550.928 1
  326.127 9838.319 8
  326.129 36304.395 29
  326.131 75120.039 61
  326.133 103715.164 84
  326.135 101018.039 82
  326.138 68775.094 56
  326.140 29894.658 24
  326.142 5743.464 5
  326.144 1222.575 1
  341.150 5114.402 4
  341.152 18097.301 15
  341.154 35968.332 29
  341.157 47799.648 39
  341.159 44686.906 36
  341.161 28873.357 23
  341.164 11484.504 9
  341.166 1628.704 1
//