ACCESSION: MSBNK-RIKEN_NPDepo-NGA00038
RECORD_TITLE: Methylevoxine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$NAME: Methylevoxine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₉H₂₃NO₆
CH$EXACT_MASS: 361.3983
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
CH$LINK: PUBCHEM CID:3569287

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
//