MassBank Record: NGA00039



 Methylevoxine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA00039
RECORD_TITLE: Methylevoxine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [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: splash10-001i-0029000000-0f57ce19959ed880fa97 PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 245.5 2.66 2 245.6 4.13 4 245.7 7.37 7 245.8 12.42 12 245.9 17.92 17 246.0 21.96 21 246.1 23.35 23 246.2 21.66 21 246.3 16.93 16 246.4 10.15 10 246.5 3.65 3 257.7 2.37 2 257.8 4.19 4 257.9 6.31 6 258.0 8.12 8 258.1 8.93 8 258.2 8.32 8 258.3 6.35 6 258.4 3.64 3 329.2 0.86 0 329.3 2.18 2 329.4 4.35 4 329.5 7.28 7 329.6 11.94 11 329.7 21.0 20 329.8 36.89 36 329.9 58.63 58 330.0 80.98 80 330.1 96.82 96 330.2 100.0 99 330.3 87.46 87 330.4 61.66 61 330.5 31.57 31 330.6 8.32 8 330.7 0.0 0 361.5 3.42 3 361.6 4.15 4 361.7 6.24 6 361.8 11.07 11 361.9 18.63 18 362.0 27.25 27 362.1 34.24 34 362.2 37.22 37 362.3 35.03 34 362.4 27.78 27 362.5 17.12 17 362.6 6.61 6 362.7 0.18 0 //