MassBank Record: MSBNK-RIKEN_NPDepo-NGA01434
ACCESSION: MSBNK-RIKEN_NPDepo-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: 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: splash10-03dl-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
//
system version 2.2.8-SNAPSHOT