MassBank Record: MPR02606

Mass Spectrum

Chemical Structure

ACCESSION: MPR02606
RECORD_TITLE: Magnoflorine; LC-ESI-ITFT; MS; pos; NIB-0936
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-0936
COMMENT: NIB-0936(+)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 88.250 9
  152.0622 138.458 14
  152.0623 150.456 15
  152.0624 115.235 12
  163.054 98.147 10
  163.0542 169.330 17
  163.0543 199.834 20
  163.055 166.466 17
  163.0552 94.475 9
  165.069 294.532 29
  165.070 593.490 59
  165.0702 794.151 79
  165.0703 748.790 75
  165.0704 492.726 49
  165.0705 207.132 21
  166.073 88.715 9
  166.0732 107.383 11
  166.0733 92.072 9
  176.062 109.589 11
  176.0622 190.523 19
  176.0623 226.305 23
  176.0624 189.949 19
  176.063 109.109 11
  178.077 79.111 8
  178.0772 143.955 14
  178.078 178.167 18
  178.0782 156.050 16
  178.0783 94.401 9
  189.069 155.998 16
  189.070 321.792 32
  189.0702 438.212 44
  189.0703 419.862 42
  189.0704 280.985 28
  189.071 120.458 12
  191.085 94.602 9
  191.086 109.815 11
  191.0862 89.721 9
  205.065 78.213 8
  205.0652 99.710 10
  205.0653 89.922 9
  207.080 95.302 10
  207.081 90.968 9
  265.086 145.846 15
  265.0862 209.366 21
  265.0863 210.737 21
  265.087 148.987 15
  282.088 116.609 12
  282.089 173.369 17
  282.0892 180.022 18
  282.090 131.413 13
  297.111 155.665 16
  297.112 326.728 33
  297.1122 450.810 45
  297.113 437.304 44
  297.1132 296.740 30
  297.1133 129.733 13
  299.128 81.520 8
  328.190 83.429 8
  328.191 128.320 13
  328.1912 137.761 14
  328.192 104.498 10
  342.167 83.604 8
  342.168 364.739 36
  342.1682 2228.266 223
  342.169 5693.420 569
  342.1692 9063.031 905
  342.170 10000.000 999
  342.171 7788.181 778
  342.1712 4080.090 408
  342.172 1197.251 120
  343.171 137.787 14
  343.1712 647.801 65
  343.172 1465.893 146
  343.1722 2140.943 214
  343.173 2187.753 219
  343.174 1570.474 157
  343.1742 740.053 74
  343.175 177.937 18
  344.174 160.031 16
  344.175 238.064 24
  344.176 247.227 25
  344.1762 180.902 18
  344.177 88.243 9
  356.148 100.273 10
  356.149 111.827 11
  356.150 88.020 9
  374.159 90.944 9
  374.1592 138.249 14
  374.160 146.461 15
  374.161 109.381 11
  490.206 139.953 14
  490.207 207.239 21
  490.208 214.709 21
  490.209 156.498 16
  504.222 101.437 10
  504.223 114.074 11
  504.224 90.420 9
  683.331 85.020 8
  683.333 104.305 10
  683.334 89.197 9
//