MassBank Record: NGA00038



 Methylevoxine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA00038
RECORD_TITLE: Methylevoxine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids

CH$NAME: Methylevoxine CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: C19H23NO6 CH$EXACT_MASS: 361.39826000000005 CH$SMILES: COc1c2ccoc2nc2c(OC)c(OCC(O)C(C)(C)OC)ccc12 CH$IUPAC: InChI=1S/C19H23NO6/c1-19(2,24-5)14(21)10-26-13-7-6-11-15(17(13)23-4)20-18-12(8-9-25-18)16(11)22-3/h6-9,14,21H,10H2,1-5H3 CH$LINK: CAS 56775-80-5 CH$LINK: INCHIKEY UPLMFBXLYYAFTF-UHFFFAOYSA-N
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: splash10-03e9-0009000000-6bbe845f80191fdf9e2c PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 245.6 1.94 1 245.7 3.5 3 245.8 5.49 5 245.9 7.25 7 246.0 8.4 8 246.1 8.95 8 246.2 8.67 8 246.3 7.16 7 246.4 4.58 4 246.5 1.92 1 329.3 1.12 1 329.4 2.84 2 329.5 5.07 5 329.6 7.92 7 329.7 13.27 13 329.8 23.79 23 329.9 39.33 39 330.0 55.28 55 330.1 65.78 65 330.2 67.87 67 330.3 61.29 61 330.4 46.68 46 330.5 27.06 27 330.6 9.07 9 330.7 0.0 0 361.3 1.38 1 361.4 2.9 2 361.5 5.57 5 361.6 9.89 9 361.7 17.59 17 361.8 30.91 30 361.9 50.45 50 362.0 73.14 73 362.1 92.26 92 362.2 100.0 99 362.3 91.31 91 362.4 67.33 67 362.5 36.45 36 362.6 10.59 10 362.7 0.02 0 //