MassBank Record: MPR01505

Mass Spectrum

Chemical Structure

ACCESSION: MPR01505
RECORD_TITLE: Rhynchophylline; LC-ESI-ITFT; MS2; pos; NIB-0467
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-0467
COMMENT: NIB-0467(+)rhynchophyllineMS2.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 MS2
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: SOLVENT A:0.1 % AcOH/H2O
AC$CHROMATOGRAPHY: SOLVENT B:0.1 % AcOH/CH3CN
MS$FOCUSED_ION: PRECURSOR_M/Z 385.2
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$NUM_PEAK: 100
PK$PEAK: m/z int. rel.int.
  144.0800 2774.213 8
  144.0805 3321.894 10
  153.0900 3495.778 10
  153.0905 4117.542 12
  153.091 3203.373 10
  158.058 4693.058 14
  158.059 8622.029 26
  158.0600 10217.690 30
  158.0605 8061.697 24
  158.061 3947.142 12
  160.0704 9854.888 29
  160.0745 19792.602 59
  160.075 25283.641 75
  160.076 21598.363 64
  160.0770 11827.764 35
  160.0775 3366.347 10
  213.101 3447.610 10
  213.102 3960.497 12
  213.103 3018.419 9
  215.115 11929.734 35
  215.116 25975.637 77
  215.117 35210.762 105
  215.118 31836.654 95
  215.120 18688.389 55
  215.121 6022.694 18
  216.121 3744.914 11
  216.122 3399.463 10
  226.140 4275.986 13
  226.141 11598.407 34
  226.143 18541.086 55
  226.144 19554.301 58
  226.145 13673.421 41
  226.147 5709.264 17
  240.158 5308.940 16
  240.159 6872.592 20
  240.160 5927.446 18
  240.162 3271.601 10
  241.132 3534.416 10
  241.133 4375.181 13
  241.135 3572.970 11
  265.130 8319.944 25
  265.132 17376.730 52
  265.133 22822.709 68
  265.135 20023.242 59
  265.136 11355.450 34
  265.138 3478.793 10
  266.137 2913.223 9
  267.144 4057.545 12
  267.145 20935.297 62
  267.147 47914.141 142
  267.149 67392.742 200
  267.150 63082.535 187
  267.152 38589.578 115
  267.154 13349.314 40
  268.149 4723.561 14
  268.151 8700.964 26
  268.152 10467.980 31
  268.154 8380.049 25
  268.156 4191.393 12
  269.159 2892.072 9
  269.160 21665.680 64
  269.162 58430.992 174
  269.164 92399.594 274
  269.165 96295.750 286
  269.167 66508.070 198
  269.169 27554.561 82
  269.170 4566.863 14
  270.164 4542.780 13
  270.166 10194.737 30
  270.167 14679.527 44
  270.169 14196.491 42
  270.171 9046.720 27
  270.172 3323.634 10
  281.127 3196.445 9
  281.128 3849.531 11
  281.130 3124.077 9
  321.154 3799.083 11
  321.156 10607.015 31
  321.158 17185.447 51
  321.161 18308.057 54
  321.163 12968.781 39
  321.165 5605.807 17
  322.163 2918.009 9
  353.177 4572.782 14
  353.179 52441.129 156
  353.182 167031.703 496
  353.184 294129.781 873
  353.187 336400.563 999
  353.189 256703.188 762
  353.192 122009.750 362
  353.194 26870.826 80
  353.197 3220.189 10
  353.209 2786.228 8
  354.181 4778.432 14
  354.184 21389.902 64
  354.187 44789.781 133
  354.189 58232.027 173
  354.192 50234.156 149
  354.194 27739.596 82
  354.197 8024.430 24
//