MassBank Record: MSBNK-RIKEN_NPDepo-NGA01433
ACCESSION: MSBNK-RIKEN_NPDepo-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: 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: splash10-03di-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
//
system version 2.2.8-SNAPSHOT