ACCESSION: MSBNK-RIKEN_NPDepo-NGA00970
RECORD_TITLE: Tazettine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Isoquinoline alkaloids, Amaryllidaceae alkaloids

CH$NAME: Tazettine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₈H₂₁NO₅
CH$EXACT_MASS: 331.3718
CH$SMILES: CO[C@@H]1C=C[C@@]23c4cc5c(cc4CO[C@]2(O)CN(C)[C@@H]3C1)OCO5
CH$IUPAC: InChI=1S/C18H21NO5/c1-19-9-18(20)17(4-3-12(21-2)6-16(17)19)13-7-15-14(22-10-23-15)5-11(13)8-24-18/h3-5,7,12,16,20H,6,8-10H2,1-2H3/t12-,16-,17+,18-/m1/s1
CH$LINK: CAS 507-79-9
CH$LINK: CHEMSPIDER 4479445
CH$LINK: INCHIKEY YLWAQARRNQVEHD-GQAVTEOGSA-N
CH$LINK: PUBCHEM CID:11873227

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$SPLASH: splash10-03di-0009000000-f11665cfc50e0cd213bd
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  313.3 0.72 0
  313.4 2.29 2
  313.5 5.05 5
  313.6 9.48 9
  313.7 17.73 17
  313.8 32.95 32
  313.9 55.14 55
  314.0 78.5 78
  314.1 95.02 94
  314.2 100.0 99
  314.3 92.19 92
  314.4 71.85 71
  314.5 43.12 43
  314.6 15.92 15
  314.7 0.53 0
  331.6 2.05 2
  331.7 3.94 3
  331.8 7.41 7
  331.9 12.39 12
  332.0 17.56 17
  332.1 21.22 21
  332.2 22.57 22
  332.3 21.62 21
  332.4 18.16 18
  332.5 12.28 12
  332.6 5.67 5
  332.7 0.91 0
//