MassBank Record: NGA00037



 Methylevoxine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA00037
RECORD_TITLE: Methylevoxine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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: splash10-03di-0009000000-9594f9e9c98902e66f15 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 329.6 1.54 1 329.7 2.84 2 329.8 5.39 5 329.9 8.97 8 330.0 12.34 12 330.1 14.14 14 330.2 13.81 13 330.3 11.46 11 330.4 7.67 7 330.5 3.59 3 361.3 1.8 1 361.4 3.6 3 361.5 6.36 6 361.6 11.27 11 361.7 20.82 20 361.8 36.82 36 361.9 57.52 57 362.0 77.89 77 362.1 93.07 92 362.2 100.0 99 362.3 95.72 95 362.4 77.8 77 362.5 49.22 49 362.6 20.28 20 362.7 2.25 2 //