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MassBank Record: NGA01435

Ribalinine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+

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

ACCESSION: NGA01435
RECORD_TITLE: Ribalinine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [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$SPLASH: splash10-000f-0590000000-567311cbe5b2b667bc7f
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  175.6 1.56 1
  175.7 2.89 2
  175.8 4.91 4
  175.9 7.12 7
  176.0 8.8 8
  176.1 9.58 9
  176.2 9.53 9
  176.3 8.65 8
  176.4 6.75 6
  176.5 4.04 4
  187.3 1.22 1
  187.4 3.34 3
  187.5 6.62 6
  187.6 12.0 11
  187.7 21.45 21
  187.8 35.87 35
  187.9 52.78 52
  188.0 67.21 67
  188.1 75.29 75
  188.2 75.45 75
  188.3 66.82 66
  188.4 49.39 49
  188.5 27.27 27
  188.6 8.44 8
  188.7 0.0 0
  199.7 2.76 2
  199.8 4.53 4
  199.9 6.8 6
  200.0 8.93 8
  200.1 10.25 10
  200.2 10.45 10
  200.3 9.4 9
  200.4 7.07 7
  200.5 3.99 3
  241.3 0.78 0
  241.4 2.61 2
  241.5 5.88 5
  241.6 11.39 11
  241.7 21.71 21
  241.8 39.53 39
  241.9 63.18 63
  242.0 85.42 85
  242.1 98.63 98
  242.2 100.0 99
  242.3 90.27 90
  242.4 70.46 70
  242.5 43.61 43
  242.6 17.64 17
  242.7 1.42 1
  259.4 1.07 1
  259.5 2.53 2
  259.6 5.03 5
  259.7 9.49 9
  259.8 17.08 17
  259.9 27.53 27
  260.0 38.24 38
  260.1 45.85 45
  260.2 48.38 48
  260.3 45.09 45
  260.4 35.79 35
  260.5 22.17 22
  260.6 8.84 8
  260.7 0.69 0
//

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