MassBank Record: MPR02890

Mass Spectrum

Chemical Structure

ACCESSION: MPR02890
RECORD_TITLE: Magnoflorine; LC-ESI-ITFT; MS2; pos; NIB-0729
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-0729
COMMENT: NIB-0729(+)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.
  192.099 145.368 15
  192.100 297.229 30
  192.101 458.022 46
  192.102 453.307 45
  192.103 292.556 29
  192.105 142.160 14
  253.084 105.804 11
  253.086 128.872 13
  253.088 94.912 9
  265.079 90.038 9
  265.081 317.350 32
  265.083 628.271 63
  265.085 948.207 95
  265.087 908.819 91
  265.088 579.069 58
  265.090 272.501 27
  265.092 82.248 8
  266.086 103.383 10
  266.088 163.076 16
  266.090 166.992 17
  266.091 109.092 11
  267.099 75.378 8
  267.101 107.735 11
  267.103 95.614 10
  279.097 184.041 18
  279.099 338.628 34
  279.101 477.254 48
  279.103 411.889 41
  279.105 251.074 25
  279.107 103.059 10
  280.102 73.549 7
  280.104 97.098 10
  280.106 76.744 8
  282.088 80.622 8
  282.090 73.235 7
  285.107 69.818 7
  285.109 135.944 14
  285.111 204.268 20
  285.113 196.408 20
  285.115 125.367 13
  297.098 136.188 14
  297.101 164.548 16
  297.103 389.920 39
  297.105 1377.813 138
  297.107 4271.930 427
  297.109 7475.219 747
  297.112 10000.000 999
  297.114 8079.174 807
  297.116 4810.267 481
  297.118 1762.785 176
  297.120 518.902 52
  297.122 201.400 20
  297.125 156.182 16
  298.108 223.417 22
  298.110 709.674 71
  298.113 1241.201 124
  298.115 1659.819 166
  298.117 1344.893 134
  298.119 804.918 80
  298.121 306.174 31
  298.124 96.122 10
  299.119 99.631 10
  299.121 402.615 40
  299.123 980.564 98
  299.126 1605.486 160
  299.128 1821.235 182
  299.130 1275.893 127
  299.132 690.042 69
  299.134 224.070 22
  299.137 79.387 8
  300.126 138.308 14
  300.128 245.213 24
  300.131 332.197 33
  300.133 273.155 27
  300.135 163.458 16
  310.141 97.791 10
  310.143 138.626 14
  310.145 120.413 12
  310.148 73.288 7
  311.119 177.972 18
  311.122 638.103 64
  311.124 1272.578 127
  311.126 1926.788 192
  311.129 1846.745 184
  311.131 1173.728 117
  311.134 550.563 55
  311.136 164.317 16
  312.124 63.142 6
  312.126 173.267 17
  312.129 292.035 29
  312.131 359.893 36
  312.133 269.149 27
  312.136 153.955 15
  313.138 144.463 14
  313.141 254.398 25
  313.143 341.768 34
  313.145 276.772 28
  313.148 164.767 16
  314.146 75.214 8
  314.148 74.765 7
//