MassBank Record: MPR01507

Mass Spectrum

Chemical Structure

ACCESSION: MPR01507
RECORD_TITLE: Rhynchophylline; LC-ESI-ITFT; MS2; pos; NIB-0469
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-0469
COMMENT: NIB-0469(+)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 2910.441 11
  144.0805 3034.727 11
  153.090 3494.551 13
  153.0910 3655.318 14
  153.0915 2498.281 9
  158.058 4768.502 18
  158.059 7666.134 29
  158.0600 8079.033 30
  158.0605 5637.542 21
  158.061 2357.641 9
  160.073 3211.986 12
  160.0740 10296.216 39
  160.0745 18299.424 69
  160.075 21124.793 79
  160.076 16279.479 61
  160.077 7832.947 29
  194.116 2276.053 9
  194.117 2970.655 11
  194.118 2573.797 10
  213.101 2892.723 11
  213.102 3038.010 11
  215.114 2768.469 10
  215.115 10878.960 41
  215.116 21355.088 80
  215.118 26602.264 100
  215.119 22099.238 83
  215.120 11678.392 44
  215.121 3098.855 12
  216.120 2466.021 9
  216.121 3105.431 12
  216.122 2600.097 10
  226.140 4290.756 16
  226.142 10309.199 39
  226.143 14993.004 56
  226.144 14476.592 54
  226.145 9176.469 35
  226.147 3336.999 13
  240.156 2351.051 9
  240.158 4419.926 17
  240.159 5251.667 20
  240.161 4154.359 16
  241.132 3518.764 13
  241.134 3981.253 15
  241.135 2975.105 11
  265.129 2328.364 9
  265.130 8457.380 32
  265.132 16006.314 60
  265.134 19414.959 73
  265.135 15734.573 59
  265.137 8074.011 30
  266.136 2720.414 10
  266.138 2731.126 10
  267.144 5570.884 21
  267.146 22717.492 85
  267.147 45903.215 173
  267.149 58676.039 221
  267.151 50103.754 188
  267.152 27479.031 103
  267.154 7896.803 30
  268.149 4517.943 17
  268.151 7640.502 29
  268.153 8438.054 32
  268.154 6127.742 23
  268.156 2637.082 10
  269.159 4067.905 15
  269.161 23414.758 88
  269.162 55167.367 208
  269.164 79002.055 297
  269.166 75147.609 283
  269.167 46857.465 176
  269.169 16709.928 63
  270.164 4712.274 18
  270.166 9475.662 36
  270.167 12414.986 47
  270.169 10918.265 41
  270.171 6190.452 23
  281.127 2479.251 9
  281.129 2789.730 10
  321.154 4414.450 17
  321.157 10782.156 41
  321.159 15905.112 60
  321.161 15569.339 59
  321.163 10051.144 38
  321.165 3811.997 14
  322.163 2255.891 8
  353.177 6332.017 24
  353.180 57438.785 216
  353.182 158419.000 596
  353.185 252963.094 951
  353.187 265600.656 999
  353.190 185076.625 696
  353.192 77864.094 293
  353.195 12967.966 49
  354.182 5150.752 19
  354.184 19479.275 73
  354.187 36873.207 139
  354.189 44183.594 166
  354.192 35116.012 132
  354.194 17528.443 66
  354.197 4260.340 16
//