MassBank Record: MPR02891

Mass Spectrum

Chemical Structure

ACCESSION: MPR02891
RECORD_TITLE: Magnoflorine; LC-ESI-ITFT; MS2; pos; NIB-0751
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-0751
COMMENT: NIB-0751(+)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.
  192.099 155.375 16
  192.100 366.229 37
  192.101 595.989 60
  192.102 671.586 67
  192.103 468.033 47
  192.105 250.747 25
  253.084 105.592 11
  253.086 148.252 15
  253.088 126.316 13
  265.081 271.445 27
  265.083 650.752 65
  265.085 1062.249 106
  265.087 1197.617 120
  265.088 835.232 83
  265.090 448.780 45
  265.092 141.423 14
  266.086 119.179 12
  266.088 199.806 20
  266.090 240.106 24
  266.092 175.468 18
  266.093 98.816 10
  267.099 82.979 8
  267.101 129.196 13
  267.103 130.082 13
  267.105 84.237 8
  279.097 187.259 19
  279.099 392.166 39
  279.101 611.984 61
  279.103 619.301 62
  279.105 402.948 40
  279.107 198.214 20
  280.105 118.843 12
  280.107 112.072 11
  282.088 113.725 11
  282.090 112.333 11
  285.109 139.850 14
  285.111 229.385 23
  285.113 264.414 26
  285.115 188.080 19
  285.117 102.908 10
  297.101 202.122 20
  297.103 323.341 32
  297.105 982.240 98
  297.107 3289.109 329
  297.109 6572.421 657
  297.112 10000.000 999
  297.114 9701.441 969
  297.116 6188.489 618
  297.118 2912.808 291
  297.120 828.648 83
  297.123 310.176 31
  297.125 303.633 30
  297.127 260.183 26
  297.129 162.999 16
  298.108 146.384 15
  298.111 509.855 51
  298.113 1020.445 102
  298.115 1552.915 155
  298.117 1507.196 151
  298.119 965.077 96
  298.122 459.164 46
  298.124 136.676 14
  299.121 265.337 27
  299.124 821.413 82
  299.126 1440.566 144
  299.128 1929.868 193
  299.130 1561.843 156
  299.132 932.942 93
  299.135 344.424 34
  299.137 103.686 10
  300.126 99.346 10
  300.128 202.734 20
  300.131 312.345 31
  300.133 309.175 31
  300.135 199.675 20
  300.137 96.913 10
  310.141 83.984 8
  310.143 132.843 13
  310.145 138.039 14
  310.148 90.944 9
  311.120 113.873 11
  311.122 417.068 42
  311.124 1056.164 106
  311.127 1749.738 175
  311.129 2063.125 206
  311.131 1485.887 148
  311.134 823.435 82
  311.136 258.813 26
  312.127 121.456 12
  312.129 233.872 23
  312.131 345.446 35
  312.134 319.797 32
  312.136 199.759 20
  312.138 88.865 9
  313.138 103.560 10
  313.141 212.465 21
  313.143 328.541 33
  313.145 326.438 33
  313.148 209.896 21
  313.150 100.923 10
//