MassBank Record: MSBNK-RIKEN_NPDepo-NGA01436
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
//
system version 2.2.8-SNAPSHOT