MassBank Record: MPR02593

Mass Spectrum

Chemical Structure

ACCESSION: MPR02593
RECORD_TITLE: Magnoflorine; LC-ESI-ITFT; MS; pos; NIB-0923
DATE: 2015.12.28 (Created 2015.12.28)
AUTHORS: Research Center for Medicinal Plant Resources, NIBIOHN
LICENSE: CC BY-SA
COPYRIGHT: Copyright (c) Research Center for Medicinal Plant Resources, NIBIOHN
COMMENT: NIB-0923
COMMENT: NIB-0923(+)magnoflorine.jdx
COMMENT: SHIN-I
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: Orbitrap Velos Pro, ThermoFisher Scientific
AC$INSTRUMENT_TYPE: LC-ESI-ITFT
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35V
AC$MASS_SPECTROMETRY: COLLISION_GAS N2
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 450 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 100 to 2000
AC$CHROMATOGRAPHY: COLUMN_NAME YMC YMC-Triart C18 (2.0 x 150 mm x 3.0um)
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 C
AC$CHROMATOGRAPHY: FLOW_GRADIENT B = 5% (0 min) to 5 % (2 min) to 95 % (18 min)
AC$CHROMATOGRAPHY: FLOW_RATE 0.3 mL/min
AC$CHROMATOGRAPHY: RETENTION_TIME 7.63
AC$CHROMATOGRAPHY: SOLVENT A:0.1 % HCOOH/H2O
AC$CHROMATOGRAPHY: SOLVENT B:CH3CN
PK$NUM_PEAK: 100
PK$PEAK: m/z int. rel.int.
  152.062 137.119 14
  152.0622 173.018 17
  152.0623 154.257 15
  152.0624 95.203 10
  163.054 118.948 12
  163.0542 178.292 18
  163.0543 186.712 19
  163.055 137.554 14
  165.069 172.241 17
  165.070 468.995 47
  165.0702 772.166 77
  165.0703 876.685 88
  165.0704 703.062 70
  165.0705 382.296 38
  165.071 121.982 12
  166.073 105.072 10
  166.0732 110.070 11
  166.074 81.014 8
  176.062 159.380 16
  176.0622 230.226 23
  176.0623 232.369 23
  176.0624 164.342 16
  178.077 117.249 12
  178.078 182.516 18
  178.0782 197.300 20
  178.0783 150.577 15
  189.069 80.805 8
  189.0692 237.151 24
  189.070 408.022 41
  189.0702 480.448 48
  189.0703 399.811 40
  189.0704 227.532 23
  191.085 88.642 9
  191.0852 129.516 13
  191.086 132.265 13
  191.0862 94.807 9
  205.065 83.061 8
  205.0652 90.452 9
  207.081 98.626 10
  207.0812 86.855 9
  221.060 86.801 9
  237.091 84.913 8
  265.085 98.917 10
  265.086 186.642 19
  265.0862 237.366 24
  265.087 213.279 21
  265.0872 132.827 13
  282.088 154.553 15
  282.089 203.639 20
  282.0892 189.167 19
  282.090 122.317 12
  297.111 237.767 24
  297.112 435.974 44
  297.1122 540.652 54
  297.113 473.517 47
  297.1132 285.875 29
  297.114 105.938 11
  298.116 89.362 9
  299.128 81.732 8
  299.1282 85.850 9
  313.149 92.017 9
  313.150 82.171 8
  328.153 117.591 12
  328.154 272.206 27
  328.1542 402.765 40
  328.155 416.436 42
  328.156 302.697 30
  328.1562 145.113 14
  328.191 85.837 9
  342.167 115.630 12
  342.1672 142.691 14
  342.168 648.287 65
  342.1682 3151.506 315
  342.169 6971.237 696
  342.170 9974.095 996
  342.1702 10000.000 999
  342.171 7034.556 703
  342.1712 3237.974 323
  342.172 775.235 77
  342.173 110.636 11
  342.174 123.218 12
  343.171 251.584 25
  343.1712 913.038 91
  343.172 1774.960 177
  343.173 2308.065 231
  343.1732 2117.698 212
  343.174 1350.350 135
  343.1742 543.557 54
  343.175 100.499 10
  344.174 80.660 8
  344.175 177.842 18
  344.1752 250.503 25
  344.176 245.039 24
  344.1762 166.044 17
  356.149 95.678 10
  356.1492 96.782 10
  374.159 99.521 10
  374.160 140.192 14
  374.1602 138.345 14
  374.161 95.526 10
//