ACCESSION: MSBNK-RIKEN_NPDepo-NGA01396
RECORD_TITLE: 14-Benzoyltalatizamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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, Delphinium alkaloid

CH$NAME: 14-Benzoyltalatizamine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₃₁H₄₃NO₆
CH$EXACT_MASS: 525.6915
CH$SMILES: CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34C5C[C@@H]6[C@@H](OC)C[C@@](O)(C5[C@H]6OC(=O)c5ccccc5)[C@@H](CC23)C14
CH$IUPAC: InChI=1S/C31H43NO6/c1-5-32-16-29(17-35-2)12-11-24(37-4)31-20-13-19-22(36-3)15-30(34,21(27(31)32)14-23(29)31)25(20)26(19)38-28(33)18-9-7-6-8-10-18/h6-10,19-27,34H,5,11-17H2,1-4H3/t19-,20?,21+,22+,23?,24+,25?,26+,27?,29+,30+,31-/m1/s1
CH$LINK: INCHIKEY NDYOWPIMXBSPHT-FXMMJRGESA-N
CH$LINK: PUBCHEM CID:16465264

AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-004i-0000190000-7e87aba9af4f788e6acb
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  493.6 1.33 1
  493.7 2.45 2
  493.8 4.34 4
  493.9 7.15 7
  494.0 10.58 10
  494.1 14.04 14
  494.2 16.74 16
  494.3 17.83 17
  494.4 16.65 16
  494.5 13.09 13
  494.6 8.04 8
  494.7 3.25 3
  525.4 1.0 0
  525.5 3.0 2
  525.6 6.84 6
  525.7 13.26 13
  525.8 23.61 23
  525.9 38.85 38
  526.0 57.82 57
  526.1 76.89 76
  526.2 91.95 91
  526.3 100.0 99
  526.4 98.6 98
  526.5 85.44 85
  526.6 61.14 61
  526.7 32.4 32
  526.8 9.39 9
  526.9 0.0 0
//