MassBank Record: MSBNK-RIKEN_NPDepo-NGA00037
ACCESSION: MSBNK-RIKEN_NPDepo-NGA00037
RECORD_TITLE: Methylevoxine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$SPLASH: splash10-03di-0009000000-9594f9e9c98902e66f15
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
329.6 1.54 1
329.7 2.84 2
329.8 5.39 5
329.9 8.97 8
330.0 12.34 12
330.1 14.14 14
330.2 13.81 13
330.3 11.46 11
330.4 7.67 7
330.5 3.59 3
361.3 1.8 1
361.4 3.6 3
361.5 6.36 6
361.6 11.27 11
361.7 20.82 20
361.8 36.82 36
361.9 57.52 57
362.0 77.89 77
362.1 93.07 92
362.2 100.0 99
362.3 95.72 95
362.4 77.8 77
362.5 49.22 49
362.6 20.28 20
362.7 2.25 2
//
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