MassBank Record: MSBNK-RIKEN_NPDepo-NGA01435
ACCESSION: MSBNK-RIKEN_NPDepo-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: 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: splash10-000f-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
//