MassBank Record: MSBNK-RIKEN_NPDepo-CB000035
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
//