MassBank Record: MPR02878

Mass Spectrum

Chemical Structure

ACCESSION: MPR02878
RECORD_TITLE: Magnoflorine; LC-ESI-ITFT; MS2; pos; NIB-0651
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-0651
COMMENT: NIB-0651(+)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.
  192.101 79.548 8
  192.102 86.993 9
  253.082 72.657 7
  253.084 124.961 12
  253.086 162.535 16
  253.088 126.607 13
  253.089 73.813 7
  265.079 112.118 11
  265.081 380.103 38
  265.083 800.003 80
  265.085 1249.004 125
  265.087 1282.179 128
  265.088 839.280 84
  265.090 417.115 42
  265.092 120.255 12
  266.086 146.224 15
  266.088 231.941 23
  266.090 248.611 25
  266.092 168.466 17
  266.093 88.384 9
  267.099 97.387 10
  267.101 141.884 14
  267.103 129.444 13
  267.105 80.229 8
  279.097 229.441 23
  279.099 434.046 43
  279.101 631.891 63
  279.103 573.890 57
  279.105 355.099 35
  279.107 154.102 15
  280.103 102.574 10
  280.105 141.239 14
  280.107 119.406 12
  280.109 72.071 7
  281.118 74.153 7
  282.086 75.041 7
  282.088 110.012 11
  282.090 99.885 10
  285.107 78.034 8
  285.109 161.515 16
  285.111 250.957 25
  285.113 258.492 26
  285.115 169.798 17
  285.117 84.495 8
  297.096 139.089 14
  297.099 278.432 28
  297.101 321.401 32
  297.103 467.357 47
  297.105 1305.570 130
  297.107 3997.506 399
  297.110 7197.462 719
  297.112 10000.000 999
  297.114 8519.574 851
  297.116 5143.040 514
  297.118 2026.606 202
  297.120 512.227 51
  297.123 127.534 13
  297.125 89.617 9
  298.109 200.819 20
  298.111 616.260 62
  298.113 1099.985 110
  298.115 1515.549 151
  298.117 1281.162 128
  298.120 773.551 77
  298.122 305.734 31
  298.124 80.320 8
  299.119 121.118 12
  299.121 398.839 40
  299.124 983.298 98
  299.126 1613.891 161
  299.128 1887.076 189
  299.130 1347.494 135
  299.132 739.352 74
  299.135 226.409 23
  300.126 121.907 12
  300.129 220.286 22
  300.131 307.100 31
  300.133 263.010 26
  300.135 159.169 16
  310.141 90.701 9
  310.143 130.194 13
  310.146 115.952 12
  311.120 166.829 17
  311.122 548.938 55
  311.124 1124.165 112
  311.127 1736.367 173
  311.129 1742.435 174
  311.131 1125.353 112
  311.134 547.595 55
  311.136 151.159 15
  312.126 149.503 15
  312.129 254.069 25
  312.131 327.690 33
  312.134 253.702 25
  312.136 148.121 15
  313.138 134.821 13
  313.141 242.587 24
  313.143 335.907 34
  313.145 284.703 28
  313.148 171.535 17
//