ACCESSION: MSBNK-RIKEN_NPDepo-NGA01010
RECORD_TITLE: Vincadifformine; 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: Monoterpenoid indole alkaloids, Aspidosperma alkaloids, Indole alkaloids

CH$NAME: Vincadifformine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₂₁H₂₆N₂O₂
CH$EXACT_MASS: 338.4536
CH$SMILES: CC[C@]12CCCN3CCC4(C(=C(C(=O)OC)C1)Nc1ccccc14)C32
CH$IUPAC: InChI=1S/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/t19?,20-,21?/m0/s1
CH$LINK: CAS 3247-10-7
CH$LINK: CHEMSPIDER 85064
CH$LINK: INCHIKEY GIGFIWJRTMBSRP-KBWCOIMZSA-N

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$SPLASH: splash10-000i-0009000000-3fe81474d346781625b9
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  306.5 1.41 1
  306.6 2.51 2
  306.7 4.08 4
  306.8 6.93 6
  306.9 11.63 11
  307.0 17.5 17
  307.1 22.76 22
  307.2 25.8 25
  307.3 25.63 25
  307.4 21.72 21
  307.5 14.63 14
  307.6 6.76 6
  307.7 1.22 1
  338.4 1.33 1
  338.5 3.92 3
  338.6 7.87 7
  338.7 14.22 14
  338.8 25.6 25
  338.9 43.62 43
  339.0 65.77 65
  339.1 86.07 85
  339.2 98.71 98
  339.3 100.0 99
  339.4 87.88 87
  339.5 63.23 63
  339.6 33.1 33
  339.7 8.7 8
  339.8 0.0 0
//