ACCESSION: MSBNK-RIKEN_NPDepo-CB000147
RECORD_TITLE: Korseveriline; 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: Steroidal alkaloids, Cevanine alkaloids

CH$NAME: Korseveriline
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₂₇H₄₅NO₃
CH$EXACT_MASS: 431.6646
CH$SMILES: C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@]4(O)[C@@H](C[C@H]5[C@H]4C[C@@H](O)[C@H]4C[C@H](O)CC[C@@]45C)[C@@H]3CN2C1
CH$IUPAC: InChI=1S/C27H45NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,20+,21+,22-,23-,24+,25-,26-,27+/m1/s1
CH$LINK: CAS 21851-05-8
CH$LINK: CHEMSPIDER 4477302
CH$LINK: INCHIKEY NQGYOUYEGZOZBN-QAJIXOGVSA-N
CH$LINK: PUBCHEM CID:16406745

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$SPLASH: splash10-001i-0000900000-c39675b257c33383dde6
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  431.4000 174574.9688 21
  431.5000 1984235.7500 255
  431.6000 4964167.5000 640
  431.7000 6969998.0000 899
  431.8000 7319211.5000 944
  431.9000 7599762.5000 980
  432.0000 7741866.0000 999
  432.1000 7603856.5000 981
  432.2000 7665392.0000 989
  432.3000 7560510.0000 975
  432.4000 7202484.5000 929
  432.5000 7010282.0000 904
  432.6000 5064956.5000 653
  432.7000 4411596.5000 568
  432.8000 4428660.5000 571
  432.9000 4335560.5000 559
  433.0000 4470257.0000 576
  433.1000 4388876.5000 565
  433.2000 4345685.5000 560
  433.3000 4387595.0000 565
  433.4000 4371562.5000 563
  433.5000 4246147.0000 547
  433.6000 3259671.0000 420
  433.7000 1898823.0000 244
  433.8000 1564174.1250 201
  433.9000 1546173.0000 198
  434.0000 1439196.7500 184
  434.1000 1532922.5000 197
  434.2000 1449384.8750 186
  434.3000 1319094.2500 169
  434.4000 1305030.8750 167
  434.5000 1317281.6250 169
  434.6000 866311.9375 110
  434.7000 358088.1250 45
  434.8000 312897.4063 39
  434.9000 252518.0625 31
  435.0000 209233.7500 26
  435.1000 197201.5938 24
  435.2000 194201.4063 24
  435.3000 195013.9063 24
  435.4000 207733.6250 25
  435.5000 172887.4063 21
  473.0000 216859.2344 27
  473.1000 233391.7188 29
  473.2000 231235.2656 28
  473.3000 253299.3438 31
  473.4000 175762.5938 21
  898.8000 170512.2031 21
  898.9000 222484.7031 27
  899.0000 285801.6563 35
  899.1000 288333.0938 36
  899.2000 255362.0156 31
  899.3000 291177.0625 36
  899.4000 291802.0938 36
  899.5000 270425.5625 33
  899.6000 225422.3750 28
  900.1000 181763.0156 22
  900.2000 189138.5156 23
  900.3000 175012.5313 21
  900.4000 194638.9219 24
  900.5000 173731.1875 21
  901.0000 231704.0625 28
//