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MassBank Record: NGA00434

Haplophyllidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: NGA00434
RECORD_TITLE: Haplophyllidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: BY-CC
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$SPLASH: splash10-000i-0090000000-187205d4e9602f4d1473
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  217.3 1.37 1
  217.4 2.77 2
  217.5 4.64 4
  217.6 7.22 7
  217.7 11.5 11
  217.8 18.28 18
  217.9 26.66 26
  218.0 33.89 33
  218.1 37.15 37
  218.2 35.42 35
  218.3 29.45 29
  218.4 20.74 20
  218.5 11.37 11
  218.6 3.81 3
  285.3 1.89 1
  285.4 3.99 3
  285.5 7.04 7
  285.6 11.56 11
  285.7 20.03 20
  285.8 35.49 35
  285.9 57.59 57
  286.0 80.57 80
  286.1 96.48 96
  286.2 100.0 99
  286.3 89.95 89
  286.4 68.52 68
  286.5 41.31 41
  286.6 16.72 16
  286.7 1.77 1
//

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