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MassBank Record: NGA01433

Ribalinine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+

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

ACCESSION: NGA01433
RECORD_TITLE: Ribalinine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$NAME: Ribalinine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C15H17NO3
CH$EXACT_MASS: 259.3076
CH$SMILES: Cn1c2c(c(=O)c3ccccc31)C[C@@H](O)C(C)(C)O2
CH$IUPAC: InChI=1S/C15H17NO3/c1-15(2)12(17)8-10-13(18)9-6-4-5-7-11(9)16(3)14(10)19-15/h4-7,12,17H,8H2,1-3H3/t12-/m1/s1
CH$LINK: CAS 62928-56-7
CH$LINK: CHEMSPIDER 316099
CH$LINK: INCHIKEY HUPKGVIVTBASQC-GFCCVEGCSA-N
CH$LINK: PUBCHEM CID:638264

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$SPLASH: splash10-03di-0090000000-73070ac3819954746d57
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  241.5 1.13 1
  241.6 2.26 2
  241.7 4.29 4
  241.8 7.66 7
  241.9 12.18 12
  242.0 16.68 16
  242.1 19.73 19
  242.2 20.5 20
  242.3 18.83 18
  242.4 14.79 14
  242.5 9.11 9
  242.6 3.62 3
  259.3 0.64 0
  259.4 2.03 2
  259.5 4.84 4
  259.6 9.71 9
  259.7 18.31 18
  259.8 33.05 33
  259.9 54.1 54
  260.0 76.84 76
  260.1 93.92 93
  260.2 100.0 99
  260.3 93.12 93
  260.4 73.59 73
  260.5 45.54 45
  260.6 18.33 18
  260.7 1.98 1
//

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