MassBank Record: MPR02882

Mass Spectrum

Chemical Structure

ACCESSION: MPR02882
RECORD_TITLE: Magnoflorine; LC-ESI-ITFT; MS2; pos; NIB-0655
DATE: 2016.01.12 (Created 2016.01.12)
AUTHORS: Research Center for Medicinal Plant Resources, NIBIOHN
LICENSE: CC BY-SA
COPYRIGHT: Copyright (c) Research Center for Medicinal Plant Resources, NIBIOHN
COMMENT: NIB-0655
COMMENT: NIB-0655(+)magnoflorineMS2.jdx
COMMENT: OUBAKU
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 Elite, 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 275 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 100 to 2000
AC$CHROMATOGRAPHY: COLUMN_NAME ChromaNik Technologies SunShell C18 (2.1 x 100 mm x 2.6um)
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40C
AC$CHROMATOGRAPHY: FLOW_GRADIENT B = 2% (15 min) to 100 % (15 min) to 100 % (17 min)
AC$CHROMATOGRAPHY: FLOW_RATE 0.3 mL/min
AC$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.
  192.099 131.719 13
  192.100 270.445 27
  192.101 417.758 42
  192.102 415.956 42
  192.103 268.335 27
  192.105 130.690 13
  253.084 116.868 12
  253.086 145.820 15
  253.088 109.124 11
  265.079 107.800 11
  265.081 361.207 36
  265.083 722.685 72
  265.085 1099.910 110
  265.087 1070.052 107
  265.089 683.938 68
  265.090 324.700 32
  265.092 92.216 9
  266.086 130.615 13
  266.088 205.015 20
  266.090 210.379 21
  266.092 138.094 14
  267.099 98.421 10
  267.101 143.240 14
  267.103 128.776 13
  279.097 228.314 23
  279.099 419.341 42
  279.101 591.644 59
  279.103 512.723 51
  279.105 312.797 31
  279.107 128.820 13
  280.102 94.420 9
  280.104 129.569 13
  280.106 109.393 11
  281.118 79.444 8
  282.086 86.883 9
  282.088 126.296 13
  282.090 112.930 11
  285.109 147.179 15
  285.111 223.822 22
  285.113 220.559 22
  285.115 142.419 14
  297.098 154.130 15
  297.101 215.265 22
  297.103 422.612 42
  297.105 1372.788 137
  297.107 4208.461 420
  297.109 7415.682 741
  297.112 10000.000 999
  297.114 8167.572 816
  297.116 4875.562 487
  297.118 1813.447 181
  297.120 497.021 50
  297.123 170.273 17
  297.125 156.837 16
  297.127 103.567 10
  297.129 94.191 9
  297.141 110.310 11
  297.143 100.875 10
  298.108 229.803 23
  298.111 706.873 71
  298.113 1237.187 124
  298.115 1654.283 165
  298.117 1338.604 134
  298.119 798.191 80
  298.122 295.359 30
  298.124 84.507 8
  299.119 112.173 11
  299.121 406.047 41
  299.123 958.601 96
  299.126 1557.397 156
  299.128 1746.583 174
  299.130 1213.439 121
  299.132 649.744 65
  299.135 200.066 20
  300.126 135.447 14
  300.128 238.790 24
  300.131 321.550 32
  300.133 261.559 26
  300.135 155.963 16
  310.141 92.971 9
  310.143 131.805 13
  310.146 114.953 11
  311.120 193.332 19
  311.122 655.572 65
  311.124 1305.678 130
  311.127 1977.439 198
  311.129 1900.535 190
  311.131 1206.948 121
  311.134 564.369 56
  311.136 160.248 16
  312.126 185.851 19
  312.129 314.060 31
  312.131 391.286 39
  312.133 294.025 29
  312.136 169.153 17
  313.138 144.779 14
  313.141 254.651 25
  313.143 342.427 34
  313.145 278.309 28
  313.148 165.739 17
//