ACCESSION: MSBNK-RIKEN_NPDepo-CB000035
RECORD_TITLE: sophoramine; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Alkaloids derived from lysine, Quinolizidine alkaloids, Sophora alkaloid

CH$NAME: sophoramine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₅H₂₀N₂O
CH$EXACT_MASS: 244.3395
CH$SMILES: O=c1cccc2n1C[C@@H]1CCCN3CCC[C@H]2[C@H]13
CH$IUPAC: InChI=1S/C15H20N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,6-7,11-12,15H,2-5,8-10H2/t11-,12+,15-/m0/s1
CH$LINK: CAS 6882-66-2
CH$LINK: CHEMSPIDER 147823
CH$LINK: INCHIKEY MMCQRJPAMIHLQX-ZOWXZIJZSA-N
CH$LINK: COMPTOX DTXSID00218926
CH$LINK: PUBCHEM CID:169014

AC$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0005-0090000000-cc3e649e52ec06d8244d
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  158.8000 177447.4531 29
  158.9000 168620.7500 28
  159.0000 164968.2969 27
  159.1000 340285.1875 57
  159.2000 465685.3750 79
  159.3000 430682.9375 73
  159.4000 364026.0000 61
  244.3000 194796.5313 32
  244.4000 1654248.7500 283
  244.5000 3345021.0000 574
  244.6000 4571021.5000 786
  244.7000 4897002.0000 842
  244.8000 5155716.0000 886
  244.9000 4606633.0000 792
  245.0000 4842520.0000 832
  245.1000 5342903.5000 918
  245.2000 5024837.0000 864
  245.3000 4904915.0000 843
  245.4000 4526888.5000 778
  245.5000 5807979.5000 999
  245.6000 1849349.5000 317
  245.7000 1341356.7500 229
  245.8000 1215043.1250 208
  245.9000 1237262.3750 212
  246.0000 966373.3125 165
  246.1000 1084164.2500 185
  246.2000 1064380.2500 182
  246.3000 1208955.7500 207
  246.4000 1015681.2500 173
  246.5000 700658.7500 119
  246.6000 420030.0000 71
  246.7000 185665.4375 30
  246.9000 128748.3281 21
  247.0000 150662.9219 24
  247.1000 173490.6563 28
  247.4000 153097.8750 25
  488.6000 201797.0156 33
  488.7000 1303310.3750 223
  488.8000 488513.1250 83
  488.9000 138488.1563 22
//