ACCESSION: MSBNK-RIKEN_NPDepo-NGA00040
RECORD_TITLE: Methylevoxine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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$SPLASH: splash10-001i-0092000000-ccd76b4f8212a74ee4d1
PK$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
//