ACCESSION: MSBNK-RIKEN_NPDepo-NGA00039
RECORD_TITLE: Methylevoxine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [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$SPLASH: splash10-001i-0029000000-0f57ce19959ed880fa97
PK$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
//