MassBank Record: MPR01492

Mass Spectrum

Chemical Structure

ACCESSION: MPR01492
RECORD_TITLE: Rhynchophylline; LC-ESI-ITFT; MS; pos; NIB-0472
DATE: 2015.10.08
AUTHORS: Research Center for Medicinal Plant Resources, NIBIOHN
LICENSE: CC BY-SA
COPYRIGHT: Copyright (c) Research Center for Medicinal Plant Resources, NIBIOHN
COMMENT: NIB-0472
COMMENT: NIB-0472(+)rhynchophylline.jdx
COMMENT: CHOTOKO
CH$NAME: Rhynchophylline
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C22H28N2O4
CH$EXACT_MASS: 384.20491
CH$SMILES: COC=C(C(=O)OC)C([H])(C1)C([H])(CC)CN(C4)C([H])1C(C4)(C(=O)2)c(c3)c(ccc3)N2
CH$IUPAC: InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13-/t14-,15-,19-,22+/m0/s1
CH$LINK: CAS 76-66-4
CH$LINK: KEGG C09236
CH$LINK: NIKKAJI J9.110C
AC$INSTRUMENT: LTQ Orbitrap XL, ThermoFisher Scientific
AC$INSTRUMENT_TYPE: LC-ESI-ITFT
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35V
AC$MASS_SPECTROMETRY: COLLISION_GAS He
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 300 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 100 to 2000
AC$CHROMATOGRAPHY: COLUMN_NAME Thermo Fisher Scientific Hypersil GOLD C18 (2.1 x 100 mm x 1.9um)
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 C
AC$CHROMATOGRAPHY: FLOW_GRADIENT B = 2% (0 min) to 40 % (30 min) to 100 % (35 min)
AC$CHROMATOGRAPHY: FLOW_RATE 0.2 mL/min
AC$CHROMATOGRAPHY: RETENTION_TIME 20.06
AC$CHROMATOGRAPHY: SOLVENT A:0.1 % AcOH/H2O
AC$CHROMATOGRAPHY: SOLVENT B:0.1 % AcOH/CH3CN
PK$NUM_PEAK: 100
PK$PEAK: m/z int. rel.int.
  133.0860 31462.945 11
  133.0865 32288.809 11
  135.1010 32621.277 11
  135.1015 46437.816 16
  135.1020 46320.488 16
  135.1025 32051.873 11
  140.001 25340.508 9
  140.0020 37469.004 13
  140.0025 38294.590 13
  140.003 27154.217 9
  149.0230 23397.639 8
  149.0235 29824.543 10
  149.024 26557.021 9
  153.1260 29517.344 10
  153.1265 74295.867 26
  153.127 116209.641 40
  153.1280 125764.508 43
  153.1285 95369.133 33
  153.129 47417.137 16
  155.973 64264.563 22
  155.9740 108801.609 37
  155.9745 126458.133 43
  155.975 103516.633 36
  155.976 57117.582 20
  163.132 28585.455 10
  163.133 39591.613 14
  163.1340 38261.781 13
  163.1345 25442.707 9
  171.1480 46791.504 16
  171.1485 90538.742 31
  171.149 117293.164 40
  171.150 106690.250 37
  171.151 66548.711 23
  171.152 24854.037 9
  186.033 59884.230 21
  186.034 102107.148 35
  186.0350 119303.227 41
  186.0355 98094.891 34
  186.036 54260.969 19
  187.126 32316.797 11
  187.127 33661.891 12
  187.128 24244.551 8
  196.999 53606.270 18
  197.000 88604.516 30
  197.001 100578.531 35
  197.002 80158.570 28
  197.003 42523.984 15
  200.021 40363.488 14
  200.022 68349.055 24
  200.023 79197.016 27
  200.025 64553.695 22
  200.026 35327.641 12
  204.139 28289.471 10
  204.140 24085.361 8
  206.040 31366.398 11
  206.041 34914.473 12
  206.042 27102.238 9
  214.985 37363.910 13
  214.986 94574.242 33
  214.987 149428.328 51
  214.988 163809.563 56
  214.989 126459.367 43
  214.991 64988.621 22
  279.160 24491.867 8
  327.085 30723.424 11
  327.087 33480.480 12
  327.090 25667.545 9
  353.182 24730.752 9
  353.185 37074.359 13
  353.187 39178.453 13
  353.190 29234.449 10
  371.096 64722.742 22
  371.099 121514.922 42
  371.101 153814.625 53
  371.104 137291.891 47
  371.107 84422.359 29
  371.109 31536.242 11
  372.100 30482.258 10
  372.102 30317.508 10
  385.202 104073.867 36
  385.205 645739.938 222
  385.207 1647017.125 566
  385.210 2626313.000 903
  385.213 2904707.000 999
  385.216 2265036.250 779
  385.219 1181852.750 406
  385.222 335490.563 115
  386.206 56233.758 19
  386.209 241567.953 83
  386.212 512262.719 176
  386.215 709332.000 244
  386.217 687724.688 237
  386.220 463786.875 160
  386.223 198373.016 68
  386.226 36370.059 13
  387.214 50196.813 17
  387.217 73842.031 25
  387.220 75456.109 26
  387.223 53931.273 19
  387.226 25104.537 9
//