MassBank Record: MPR01502

Mass Spectrum

Chemical Structure

ACCESSION: MPR01502
RECORD_TITLE: Rhynchophylline; LC-ESI-ITFT; MS2; pos; NIB-0464
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-0464
COMMENT: NIB-0464(+)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 3215.504 9
  144.0805 3687.340 10
  144.081 2793.075 8
  153.090 3546.594 10
  153.0910 4153.342 12
  153.0915 3220.008 9
  158.058 5165.644 15
  158.059 9096.895 26
  158.0600 10281.398 29
  158.0605 7691.857 22
  158.061 3540.632 10
  160.073 3033.825 9
  160.0740 11099.400 31
  160.0745 21222.719 60
  160.075 25955.422 74
  160.076 21191.227 60
  160.0770 10988.264 31
  160.0775 2900.561 8
  194.117 3661.000 10
  194.118 3301.649 9
  213.101 3115.035 9
  213.102 3431.242 10
  215.114 2975.208 8
  215.115 12814.708 36
  215.116 26607.885 75
  215.117 34721.996 98
  215.118 30263.748 86
  215.120 17059.074 48
  215.121 5250.341 15
  216.121 3360.882 10
  216.122 2901.099 8
  226.140 5022.369 14
  226.141 13098.429 37
  226.143 20156.652 57
  226.144 20491.811 58
  226.145 13783.324 39
  226.147 5517.196 16
  240.158 5299.637 15
  240.159 6654.251 19
  240.160 5549.094 16
  240.162 2927.567 8
  241.132 4006.159 11
  241.133 4822.020 14
  241.135 3866.966 11
  265.130 9770.460 28
  265.132 20047.273 57
  265.133 25785.012 73
  265.135 22095.805 63
  265.137 12154.558 34
  265.138 3525.894 10
  267.144 4974.761 14
  267.145 24745.799 70
  267.147 54715.430 155
  267.149 74676.914 212
  267.150 67891.383 193
  267.152 40266.871 114
  267.154 13500.224 38
  268.149 4871.097 14
  268.151 8775.193 25
  268.152 10226.615 29
  268.154 7888.266 22
  268.156 3756.182 11
  269.159 3733.517 11
  269.160 26229.783 74
  269.162 67189.492 191
  269.164 102002.148 289
  269.165 102384.438 290
  269.167 67973.195 193
  269.169 26877.111 76
  269.170 4245.639 12
  270.164 4553.409 13
  270.166 10097.888 29
  270.167 14083.869 40
  270.169 13087.796 37
  270.171 7922.625 22
  281.127 3905.678 11
  281.128 4484.442 13
  281.130 3415.161 10
  321.154 4391.142 12
  321.156 11934.680 34
  321.158 18802.625 53
  321.161 19456.721 55
  321.163 13307.797 38
  321.165 5427.301 15
  322.163 3009.643 9
  353.177 5294.671 15
  353.179 61320.363 174
  353.182 186790.094 530
  353.184 317724.375 901
  353.187 352319.938 999
  353.189 260498.906 739
  353.192 119415.617 339
  353.194 25355.633 72
  354.182 4661.414 13
  354.184 18998.162 54
  354.187 37921.250 108
  354.189 47552.164 135
  354.192 39646.602 112
  354.194 21073.393 60
  354.197 5808.118 16
//