ACCESSION: MSBNK-RIKEN_NPDepo-NGA01436
RECORD_TITLE: Ribalinine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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$NAME: Ribalinine
CH$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$SPLASH: splash10-000i-0930000000-6cb7ba09077843609e3b
PK$NUM_PEAK: 92
PK$PEAK: m/z int. rel.int.
  133.5 1.82 1
  133.6 3.33 3
  133.7 5.56 5
  133.8 8.52 8
  133.9 11.69 11
  134.0 14.24 14
  134.1 15.5 15
  134.2 15.25 15
  134.3 13.35 13
  134.4 9.83 9
  134.5 5.45 5
  134.6 1.72 1
  159.7 1.88 1
  159.8 3.15 3
  159.9 4.63 4
  160.0 5.84 5
  160.1 6.44 6
  160.2 6.4 6
  160.3 5.67 5
  160.4 4.23 4
  160.5 2.35 2
  171.7 2.72 2
  171.8 4.52 4
  171.9 6.72 6
  172.0 8.57 8
  172.1 9.54 9
  172.2 9.56 9
  172.3 8.73 8
  172.4 6.89 6
  172.5 4.19 4
  172.6 1.54 1
  175.6 2.13 2
  175.7 3.82 3
  175.8 6.44 6
  175.9 9.63 9
  176.0 12.56 12
  176.1 14.42 14
  176.2 14.69 14
  176.3 12.96 12
  176.4 9.26 9
  176.5 4.73 4
  176.6 1.13 1
  187.2 0.2 0
  187.3 1.47 1
  187.4 4.52 4
  187.5 9.33 9
  187.6 16.98 16
  187.7 29.94 29
  187.8 49.22 49
  187.9 71.26 71
  188.0 89.73 89
  188.1 100.0 99
  188.2 99.98 99
  188.3 87.89 87
  188.4 63.79 63
  188.5 34.03 33
  188.6 9.72 9
  188.7 0.22 0
  199.4 1.66 1
  199.5 2.95 2
  199.6 5.0 4
  199.7 8.3 8
  199.8 13.19 13
  199.9 19.06 19
  200.0 24.38 24
  200.1 27.66 27
  200.2 28.2 28
  200.3 25.63 25
  200.4 19.79 19
  200.5 11.73 11
  200.6 4.26 4
  223.8 2.81 2
  223.9 4.29 4
  224.0 5.8 5
  224.1 6.91 6
  224.2 7.22 7
  224.3 6.56 6
  224.4 4.93 4
  224.5 2.77 2
  241.5 2.14 2
  241.6 3.77 3
  241.7 6.8 6
  241.8 12.03 12
  241.9 19.1 19
  242.0 25.99 25
  242.1 30.44 30
  242.2 31.37 31
  242.3 28.62 28
  242.4 22.25 22
  242.5 13.38 13
  242.6 4.95 4
  242.7 0.12 0
//