MassBank Record: NGA00040



 Methylevoxine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA00040
RECORD_TITLE: Methylevoxine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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-0092000000-ccd76b4f8212a74ee4d1 PK$NUM_PEAK: 121 PK$PEAK: m/z int. rel.int. 198.6 1.27 1 198.7 2.46 2 198.8 4.03 4 198.9 5.76 5 199.0 7.26 7 199.1 8.03 8 199.2 7.66 7 199.3 6.16 6 199.4 4.01 4 199.5 1.97 1 215.5 1.98 1 215.6 3.36 3 215.7 5.85 5 215.8 9.21 9 215.9 12.43 12 216.0 14.48 14 216.1 14.76 14 216.2 12.87 12 216.3 8.84 8 216.4 4.02 4 226.2 1.92 1 226.3 3.34 3 226.4 5.37 5 226.5 9.1 9 226.6 16.06 16 226.7 26.68 26 226.8 38.6 38 226.9 47.44 47 227.0 50.26 50 227.1 48.13 48 227.2 43.48 43 227.3 36.09 36 227.4 24.62 24 227.5 11.41 11 227.6 1.92 1 230.3 2.9 2 230.4 6.01 6 230.5 12.26 12 230.6 22.8 22 230.7 38.26 38 230.8 57.51 57 230.9 77.25 77 231.0 92.99 92 231.1 100.0 99 231.2 93.65 93 231.3 72.16 72 231.4 41.24 41 231.5 13.33 13 231.6 0.46 0 242.6 3.19 3 242.7 4.35 4 242.8 6.49 6 242.9 9.51 9 243.0 12.78 12 243.1 15.35 15 243.2 16.03 16 243.3 14.05 14 243.6 8.64 8 243.7 13.63 13 243.8 20.64 20 243.9 27.47 27 244.0 33.03 32 244.1 36.24 36 244.2 35.02 34 244.3 28.05 28 244.4 17.35 17 244.5 7.59 7 244.9 3.24 3 245.0 4.02 4 245.1 5.14 5 245.2 6.46 6 245.3 7.34 7 245.4 7.78 7 245.5 9.17 9 245.6 14.15 14 245.7 25.43 25 245.8 43.2 43 245.9 63.22 63 246.0 78.55 78 246.1 83.91 83 246.2 77.52 77 246.3 60.24 60 246.4 36.22 36 246.5 13.54 13 246.6 0.36 0 257.4 2.11 2 257.5 3.91 3 257.6 7.98 7 257.7 14.93 14 257.8 23.31 23 257.9 30.55 30 258.0 35.54 35 258.1 38.68 38 258.2 38.81 38 258.3 33.06 33 258.4 21.31 21 258.5 8.55 8 258.6 1.1 1 311.8 2.38 2 311.9 3.79 3 312.0 5.78 5 312.1 7.48 7 312.2 7.72 7 312.3 6.14 6 312.4 3.63 3 329.2 1.59 1 329.3 2.93 2 329.4 3.97 3 329.5 5.02 5 329.6 8.1 8 329.7 15.93 15 329.8 29.68 29 329.9 47.27 47 330.0 63.82 63 330.1 74.39 74 330.2 76.27 76 330.3 68.38 68 330.4 50.98 50 330.5 28.15 28 330.6 8.21 8 330.7 0.0 0 //