MassBank Record: MSBNK-RIKEN_NPDepo-NGA00040
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
//
system version 2.2.8-SNAPSHOT