MassBank Record: MPR02609

Mass Spectrum

Chemical Structure

ACCESSION: MPR02609
RECORD_TITLE: Magnoflorine; LC-ESI-ITFT; MS2; pos; NIB-0916
DATE: 2015.12.28 (Created 2015.12.28)
AUTHORS: Research Center for Medicinal Plant Resources, NIBIOHN
LICENSE: CC BY-SA
COPYRIGHT: Copyright (c) Research Center for Medicinal Plant Resources, NIBIOHN
COMMENT: NIB-0916
COMMENT: NIB-0916(+)magnoflorineMS2.jdx
COMMENT: SHIN-I
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: Orbitrap Velos Pro, 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$MASS_SPECTROMETRY: COLLISION_GAS N2
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 450 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 100 to 2000
AC$CHROMATOGRAPHY: COLUMN_NAME YMC YMC-Triart C18 (2.0 x 150 mm x 3.0um)
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 C
AC$CHROMATOGRAPHY: FLOW_GRADIENT B = 5% (0 min) to 5 % (2 min) to 95 % (18 min)
AC$CHROMATOGRAPHY: FLOW_RATE 0.3 mL/min
AC$CHROMATOGRAPHY: SOLVENT A:0.1 % HCOOH/H2O
AC$CHROMATOGRAPHY: SOLVENT B:CH3CN
MS$FOCUSED_ION: PRECURSOR_M/Z 342.17
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
PK$NUM_PEAK: 100
PK$PEAK: m/z int. rel.int.
  251.107 81.889 8
  253.086 82.401 8
  253.0862 154.444 15
  253.0863 181.912 18
  253.087 141.647 14
  265.085 550.116 55
  265.086 1372.704 137
  265.0862 2017.694 202
  265.087 1962.194 196
  265.0872 1263.329 126
  265.0873 489.335 49
  265.088 89.986 9
  266.089 82.461 8
  266.0892 202.256 20
  266.090 291.430 29
  266.0902 277.071 28
  266.0903 173.405 17
  267.101 125.360 13
  267.102 175.069 17
  267.1022 161.597 16
  267.103 97.468 10
  269.117 75.817 8
  269.118 94.689 9
  269.1182 77.770 8
  279.101 168.052 17
  280.105 84.144 8
  280.1052 132.657 13
  280.106 135.487 14
  280.1062 90.945 9
  281.118 90.709 9
  281.1182 82.738 8
  282.088 104.916 10
  282.089 160.578 16
  282.0892 161.751 16
  282.090 107.804 11
  284.105 95.472 10
  284.1052 91.642 9
  285.112 120.826 12
  285.1122 179.222 18
  285.113 174.786 17
  285.1132 111.816 11
  297.105 87.578 9
  297.107 70.042 7
  297.109 98.707 10
  297.1092 86.057 9
  297.110 96.435 10
  297.1102 208.190 21
  297.111 373.282 37
  297.1112 2848.038 285
  297.112 6929.643 692
  297.1122 10000.000 999
  297.113 9556.040 955
  297.1132 6030.344 602
  297.114 2271.189 227
  297.1142 397.762 40
  297.115 88.813 9
  297.1152 99.322 10
  297.117 100.359 10
  297.1172 79.999 8
  297.118 71.183 7
  297.121 94.566 9
  298.114 100.005 10
  298.115 451.180 45
  298.1152 918.649 92
  298.116 1167.836 117
  298.1162 991.455 99
  298.117 546.714 55
  298.1172 170.216 17
  299.126 84.668 8
  299.127 566.544 57
  299.1272 1325.885 132
  299.128 1865.097 186
  299.1282 1741.807 174
  299.129 1070.858 107
  299.1292 388.585 39
  300.130 79.735 8
  300.131 176.328 18
  300.1312 236.277 24
  300.132 209.265 21
  300.1322 120.347 12
  310.143 73.440 7
  310.144 104.631 10
  310.1442 96.692 10
  311.127 219.788 22
  311.1272 821.806 82
  311.128 1528.220 153
  311.1282 1812.219 181
  311.129 1436.507 144
  311.1292 727.502 73
  311.130 197.394 20
  312.130 144.468 14
  312.131 245.406 25
  312.132 269.498 27
  312.1322 196.940 20
  312.133 90.125 9
  313.142 104.469 10
  313.143 240.766 24
  313.1432 336.292 34
  313.144 311.954 31
  313.145 190.142 19
//