ACCESSION: MSBNK-RIKEN_NPDepo-CB000181
RECORD_TITLE: Talatizamine; 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: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid

CH$NAME: Talatizamine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₂₄H₃₉NO₅
CH$EXACT_MASS: 421.5821
CH$SMILES: CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34C5C[C@@H]6[C@@H](OC)C[C@@](O)(C5[C@H]6O)[C@@H](CC23)C14
CH$IUPAC: InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14?,15+,16+,17?,18+,19?,20+,21?,22+,23+,24-/m1/s1
CH$LINK: CAS 20501-56-8
CH$LINK: CHEMSPIDER 390361 140575
CH$LINK: INCHIKEY BDCURAWBZJMFIK-SAXGWMFCSA-N
CH$LINK: PUBCHEM CID:16394640

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$SPLASH: splash10-00di-0000900000-6230a91002777a10b0c1
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  238.5000 317879.8750 46
  389.5000 285877.5625 41
  389.6000 397742.6875 58
  389.7000 313308.1250 45
  389.8000 501893.0313 74
  389.9000 494606.7500 73
  390.0000 656903.9375 97
  390.1000 663904.5625 98
  390.2000 704336.0000 104
  390.3000 465033.2813 68
  390.4000 584470.3125 86
  390.5000 307736.2813 45
  390.6000 212443.7500 30
  390.7000 214729.6250 31
  390.9000 181012.9219 26
  391.0000 190727.8906 27
  391.3000 325166.1250 47
  392.1000 180870.0625 26
  392.2000 147010.5000 21
  421.3000 192870.9063 27
  421.4000 1044931.6875 155
  421.5000 2526323.2500 377
  421.6000 4570754.5000 684
  421.7000 5088792.5000 761
  421.8000 6671905.0000 999
  421.9000 5311808.0000 795
  422.0000 5302807.5000 793
  422.1000 5286092.0000 791
  422.2000 5234373.5000 783
  422.3000 4804485.0000 719
  422.4000 4439031.5000 664
  422.5000 3288806.0000 491
  422.6000 2378312.7500 355
  422.7000 2441745.5000 364
  422.8000 2294878.2500 342
  422.9000 2514608.2500 375
  423.0000 2162583.2500 323
  423.1000 2231445.0000 333
  423.2000 2205871.5000 329
  423.3000 2325737.7500 347
  423.4000 2157439.7500 322
  423.5000 1591970.8750 237
  423.6000 767912.0625 114
  423.7000 571897.9375 84
  423.8000 664047.4375 98
  423.9000 545610.3750 80
  424.0000 629044.9375 93
  424.1000 446889.0625 65
  424.2000 461175.7500 68
  424.3000 432745.1875 63
  424.4000 433173.7813 63
  424.5000 272448.0313 39
  424.7000 153725.2656 22
//