ACCESSION: MSBNK-RIKEN_NPDepo-NGA00435
RECORD_TITLE: Haplophyllidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids

CH$NAME: Haplophyllidine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₈H₂₃NO₄
CH$EXACT_MASS: 317.3883
CH$SMILES: COc1c2c(nc3occc13)C(CC=C(C)C)(OC)C(O)CC2
CH$IUPAC: InChI=1S/C18H23NO4/c1-11(2)7-9-18(22-4)14(20)6-5-12-15(21-3)13-8-10-23-17(13)19-16(12)18/h7-8,10,14,20H,5-6,9H2,1-4H3
CH$LINK: CAS 18063-21-3
CH$LINK: CHEMSPIDER 391213
CH$LINK: INCHIKEY RNZIQNGNLJSLHV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2837665

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$SPLASH: splash10-014r-0090000000-c62e8a33252e32213dce
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  217.2 1.69 1
  217.3 3.85 3
  217.4 6.87 6
  217.5 10.14 10
  217.6 15.28 15
  217.7 26.84 26
  217.8 47.6 47
  217.9 72.95 72
  218.0 92.82 92
  218.1 100.0 99
  218.2 94.35 94
  218.3 78.86 78
  218.4 56.16 56
  218.5 30.7 30
  218.6 9.8 9
  218.7 0.1 0
  229.5 1.64 1
  229.6 2.77 2
  229.7 4.66 4
  229.8 7.48 7
  229.9 10.69 10
  230.0 13.25 13
  230.1 14.31 14
  230.2 13.64 13
  230.3 11.31 11
  230.4 7.62 7
  230.5 3.58 3
  267.8 2.89 2
  267.9 4.33 4
  268.0 5.72 5
  268.1 6.75 6
  268.2 7.13 7
  268.3 6.57 6
  268.4 5.01 5
  268.5 2.91 2
  285.3 1.4 1
  285.4 3.34 3
  285.5 5.85 5
  285.6 8.96 8
  285.7 14.76 14
  285.8 26.14 26
  285.9 42.96 42
  286.0 60.52 60
  286.1 72.75 72
  286.2 76.08 76
  286.3 69.85 69
  286.4 54.95 54
  286.5 34.49 34
  286.6 14.65 14
  286.7 2.08 2
//