MassBank Record: MPR02880

Mass Spectrum

Chemical Structure

ACCESSION: MPR02880
RECORD_TITLE: Magnoflorine; LC-ESI-ITFT; MS2; pos; NIB-0653
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-0653
COMMENT: NIB-0653(+)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.
  253.084 104.667 10
  253.086 140.593 14
  253.088 113.572 11
  265.079 90.552 9
  265.081 305.721 31
  265.083 675.995 68
  265.085 1074.350 107
  265.087 1149.998 115
  265.088 772.279 77
  265.090 397.503 40
  265.092 116.078 12
  266.086 118.042 12
  266.088 191.064 19
  266.090 213.554 21
  266.092 147.974 15
  266.094 79.130 8
  267.101 108.738 11
  267.103 109.154 11
  279.097 190.106 19
  279.099 385.102 38
  279.101 589.217 59
  279.103 578.213 58
  279.105 369.411 37
  279.107 175.555 18
  280.103 98.275 10
  280.105 145.150 15
  280.107 135.256 14
  280.109 84.772 8
  282.086 80.467 8
  282.088 123.444 12
  282.090 122.055 12
  282.092 78.938 8
  284.105 73.845 7
  285.109 132.581 13
  285.111 211.481 21
  285.113 234.696 23
  285.115 162.276 16
  285.117 86.259 9
  297.096 118.606 12
  297.099 274.700 27
  297.101 359.381 36
  297.103 417.684 42
  297.105 1036.849 104
  297.107 3349.828 335
  297.109 6625.982 662
  297.112 10000.000 999
  297.114 9624.787 962
  297.116 6100.134 609
  297.118 2838.199 284
  297.120 766.591 77
  297.123 207.408 21
  297.125 142.576 14
  297.127 74.186 7
  298.108 137.655 14
  298.111 470.464 47
  298.113 940.071 94
  298.115 1425.999 142
  298.117 1384.374 138
  298.119 884.859 88
  298.122 421.516 42
  298.124 122.056 12
  299.119 86.659 9
  299.121 278.073 28
  299.124 844.194 84
  299.126 1468.336 147
  299.128 1952.874 195
  299.130 1572.479 157
  299.132 933.151 93
  299.135 338.938 34
  299.137 89.458 9
  300.126 92.436 9
  300.128 188.323 19
  300.131 289.578 29
  300.133 286.993 29
  300.135 184.140 18
  300.137 88.453 9
  310.141 91.128 9
  310.143 144.032 14
  310.145 150.864 15
  310.148 100.237 10
  311.119 120.205 12
  311.122 404.824 40
  311.124 1029.979 103
  311.126 1702.321 170
  311.129 2016.053 201
  311.131 1451.855 145
  311.134 803.858 80
  311.136 248.981 25
  312.127 128.014 13
  312.129 244.460 24
  312.131 358.482 36
  312.134 329.213 33
  312.136 205.004 20
  312.138 90.950 9
  313.138 98.496 10
  313.141 204.112 20
  313.143 316.774 32
  313.145 320.067 32
  313.148 207.830 21
  313.150 102.230 10
//