MassBank Record: MPR00159

Mass Spectrum

Chemical Structure

ACCESSION: MPR00159
RECORD_TITLE: Magnoflorine; LC-ESI-ITFT; MS2
DATE: 2017.02.06 (Created 2017.02.40)
AUTHORS: Research Center for Medicinal Plant Resources, NIBIOHN
LICENSE: CC BY-SA
COPYRIGHT: Copyright (c) Research Center for Medicinal Plant Resources, NIBIOHN
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 270 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 155 to 2000
AC$CHROMATOGRAPHY: COLUMN_NAME Phenomenex Kinetex C18 (2.1 x 150 mm x 2.6um)
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 C
AC$CHROMATOGRAPHY: FLOW_GRADIENT B = 2% to 2 % (5 min) to 98 % (30 min) to 98 % (35 min)
AC$CHROMATOGRAPHY: FLOW_RATE 0.2 mL/min
AC$CHROMATOGRAPHY: SOLVENT A:0.1 % AcOH/H2O
AC$CHROMATOGRAPHY: SOLVENT B:0.1 % AcOH/CH3CN
MS$FOCUSED_ION: PRECURSOR_M/Z 342.17
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  137.118 1.471 1
  192.143 1.859 1
  202.997 1.862 1
  205.088 3.554 1
  207.072 2.201 1
  209.158 3.207 1
  219.075 8.800 1
  221.069 12.714 1
  223.147 2.661 1
  225.080 8.656 1
  226.242 1.118 1
  233.101 14.456 1
  233.910 2.750 1
  235.042 35.096 4
  235.850 6.915 1
  237.072 38.814 4
  238.277 1.534 1
  239.135 19.866 2
  240.078 2.087 1
  247.107 14.456 1
  249.143 11.448 1
  251.113 73.684 7
  252.081 2.990 1
  253.065 166.176 17
  254.219 4.779 1
  255.094 3.239 1
  257.164 6.004 1
  260.167 2.277 1
  261.210 4.963 1
  265.083 1646.711 165
  266.092 49.081 5
  267.130 145.950 15
  268.300 6.380 1
  269.114 73.163 7
  270.327 10.505 1
  271.109 43.178 4
  279.092 790.778 79
  280.081 49.582 5
  281.095 87.209 9
  282.108 187.247 19
  283.271 27.960 3
  284.099 90.762 9
  285.097 207.294 21
  286.019 10.638 1
  287.412 1.348 1
  292.067 5.514 1
  293.172 10.412 1
  295.180 5.356 1
  297.109 10000.000 999
  298.219 134.158 13
  299.139 1960.665 196
  300.235 40.375 4
  300.999 1.199 1
  302.086 3.311 1
  303.308 3.240 1
  304.861 3.693 1
  307.535 1.560 1
  310.135 160.879 16
  311.127 1638.111 164
  312.249 58.917 6
  313.160 326.404 33
  314.255 19.355 2
  324.230 12.388 1
  327.199 26.101 3
  328.122 2.487 1
  340.147 0.716 1
//