MassBank Record: MPR02870

Mass Spectrum

Chemical Structure

ACCESSION: MPR02870
RECORD_TITLE: Magnoflorine; LC-ESI-ITFT; MS2; pos; NIB-0250
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-0250
COMMENT: NIB-0250(+)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.
  192.101 105.491 11
  192.102 111.831 11
  192.103 74.238 7
  253.084 106.759 11
  253.086 142.569 14
  253.088 114.259 11
  265.079 78.213 8
  265.081 293.463 29
  265.083 648.256 65
  265.085 1031.709 103
  265.087 1090.434 109
  265.088 727.315 73
  265.090 370.636 37
  265.092 113.633 11
  266.086 125.612 13
  266.088 200.857 20
  266.090 218.686 22
  266.092 149.642 15
  266.094 79.001 8
  267.099 93.907 9
  267.101 141.054 14
  267.103 134.526 13
  267.105 85.228 9
  279.097 207.938 21
  279.099 406.405 41
  279.101 606.313 61
  279.103 568.333 57
  279.105 358.120 36
  279.107 163.339 16
  280.102 87.071 9
  280.104 122.823 12
  280.106 106.712 11
  281.118 72.443 7
  282.086 73.478 7
  282.088 111.006 11
  282.090 105.840 11
  284.105 72.603 7
  285.109 124.585 12
  285.111 196.835 20
  285.113 210.986 21
  285.115 144.017 14
  285.117 76.076 8
  297.098 144.251 14
  297.101 189.929 19
  297.103 334.994 33
  297.105 1147.363 115
  297.107 3776.362 377
  297.109 7005.700 700
  297.112 10000.000 999
  297.114 8799.794 879
  297.116 5402.905 540
  297.118 2269.543 227
  297.120 664.475 66
  297.123 261.327 26
  297.125 222.438 22
  297.127 104.805 10
  298.108 201.767 20
  298.111 668.814 67
  298.113 1230.321 123
  298.115 1741.997 174
  298.117 1518.719 152
  298.119 931.833 93
  298.122 390.927 39
  298.124 118.622 12
  299.119 82.925 8
  299.121 325.752 33
  299.123 874.034 87
  299.126 1462.475 146
  299.128 1770.772 177
  299.130 1302.093 130
  299.132 734.994 73
  299.134 243.112 24
  299.137 81.062 8
  300.126 116.708 12
  300.128 216.777 22
  300.131 308.832 31
  300.133 271.013 27
  300.135 166.303 17
  310.141 78.604 8
  310.143 115.676 12
  310.146 105.579 11
  311.119 147.767 15
  311.122 546.455 55
  311.124 1176.164 117
  311.126 1855.552 185
  311.129 1927.216 193
  311.131 1273.810 127
  311.133 643.784 64
  311.136 194.662 19
  312.126 156.224 16
  312.129 270.672 27
  312.131 357.400 36
  312.133 285.227 28
  312.136 169.558 17
  313.138 132.649 13
  313.141 245.725 25
  313.143 348.793 35
  313.145 303.365 30
  313.148 185.120 18
  313.150 76.152 8
//