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MassBank Record: NGA01434

Ribalinine; 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: NGA01434
RECORD_TITLE: Ribalinine; 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$NAME: Ribalinine
CH$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$SPLASH: splash10-03dl-0190000000-4f2df1e5bae59cc91ab2
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  187.4 1.14 1
  187.5 2.44 2
  187.6 4.54 4
  187.7 8.29 8
  187.8 14.37 14
  187.9 21.94 21
  188.0 28.65 28
  188.1 32.43 32
  188.2 32.49 32
  188.3 28.68 28
  188.4 21.14 21
  188.5 11.62 11
  188.6 3.54 3
  241.3 0.72 0
  241.4 1.91 1
  241.5 4.16 4
  241.6 8.32 8
  241.7 15.79 15
  241.8 27.73 27
  241.9 43.46 43
  242.0 59.41 59
  242.1 70.76 70
  242.2 74.08 74
  242.3 68.03 67
  242.4 52.9 52
  242.5 31.97 31
  242.6 12.25 12
  242.7 0.91 0
  259.3 0.72 0
  259.4 2.37 2
  259.5 5.53 5
  259.6 10.64 10
  259.7 19.19 19
  259.8 33.58 33
  259.9 54.31 54
  260.0 77.02 76
  260.1 94.12 94
  260.2 100.0 99
  260.3 93.01 92
  260.4 73.97 73
  260.5 46.75 46
  260.6 19.88 19
  260.7 2.46 2
//

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