MassBank Record: MPR02881

Mass Spectrum

Chemical Structure

ACCESSION: MPR02881
RECORD_TITLE: Magnoflorine; LC-ESI-ITFT; MS2; pos; NIB-0654
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-0654
COMMENT: NIB-0654(+)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.
  192.099 113.975 11
  192.100 219.524 22
  192.101 324.721 32
  192.102 300.840 30
  192.104 187.385 19
  192.105 82.664 8
  253.084 88.294 9
  253.086 107.234 11
  253.087 78.495 8
  265.079 107.383 11
  265.081 366.434 37
  265.083 719.587 72
  265.085 1079.010 108
  265.087 1020.466 102
  265.089 644.567 64
  265.090 295.850 30
  265.092 86.141 9
  266.086 143.020 14
  266.088 222.128 22
  266.090 223.059 22
  266.092 145.022 14
  266.094 71.797 7
  267.099 89.557 9
  267.101 128.762 13
  267.103 114.099 11
  279.097 226.369 23
  279.099 413.539 41
  279.101 580.403 58
  279.103 497.996 50
  279.105 301.814 30
  279.107 120.695 12
  280.103 94.336 9
  280.105 125.013 12
  280.107 100.232 10
  282.086 76.701 8
  282.088 111.740 11
  282.090 100.749 10
  285.107 74.864 7
  285.109 147.380 15
  285.111 222.937 22
  285.113 217.419 22
  285.115 139.639 14
  297.099 99.388 10
  297.101 192.232 19
  297.103 449.032 45
  297.105 1393.226 139
  297.107 4181.375 418
  297.110 7374.716 737
  297.112 10000.000 999
  297.114 8218.613 821
  297.116 4906.033 490
  297.118 1802.525 180
  297.121 466.570 47
  297.123 180.197 18
  297.125 209.069 21
  297.127 138.232 14
  297.129 87.475 9
  298.109 220.618 22
  298.111 673.815 67
  298.113 1189.852 119
  298.115 1615.797 161
  298.117 1334.582 133
  298.120 800.293 80
  298.122 303.003 30
  298.124 83.253 8
  299.119 118.527 12
  299.121 413.144 41
  299.124 1001.949 100
  299.126 1642.004 164
  299.128 1890.859 189
  299.130 1337.733 134
  299.132 726.156 73
  299.135 222.159 22
  300.126 132.810 13
  300.128 236.968 24
  300.131 324.265 32
  300.133 269.702 27
  300.135 161.865 16
  310.141 86.659 9
  310.143 124.430 12
  310.146 108.829 11
  311.120 174.148 17
  311.122 581.579 58
  311.124 1192.273 119
  311.127 1845.062 184
  311.129 1850.006 185
  311.131 1195.245 119
  311.134 579.208 58
  311.136 160.111 16
  312.127 144.652 14
  312.129 246.569 25
  312.131 319.856 32
  312.134 249.478 25
  312.136 146.143 15
  313.139 128.562 13
  313.141 232.816 23
  313.143 324.671 32
  313.146 276.462 28
  313.148 166.485 17
  314.148 70.418 7
//