MassBank Record: MSBNK-RIKEN_NPDepo-NGA03081
ACCESSION: MSBNK-RIKEN_NPDepo-NGA03081
RECORD_TITLE: O-DeMethylfoliosidine; 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: SubCategory_DNP: : Alkaloids derived from anthranilic acid, Quinoline alkaloids, Foliosidine alkaloids
CH$NAME: O-DeMethylfoliosidine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C15H19NO5
CH$EXACT_MASS: 293.3224
CH$SMILES: Cn1c(O)cc(=O)c2cccc(OCC(O)C(C)(C)O)c21
CH$IUPAC: InChI=1S/C15H19NO5/c1-15(2,20)12(18)8-21-11-6-4-5-9-10(17)7-13(19)16(3)14(9)11/h4-7,12,18-20H,8H2,1-3H3
CH$LINK: INCHIKEY
WJEIDEFTSKCCHI-UHFFFAOYSA-N
AC$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$SPLASH: splash10-0006-0910000000-11fe962715d33490ca45
PK$NUM_PEAK: 142
PK$PEAK: m/z int. rel.int.
58.6 1.74 1
58.7 2.71 2
58.8 4.08 4
58.9 5.77 5
59.0 7.21 7
59.1 7.81 7
59.2 7.45 7
59.3 6.29 6
59.4 4.42 4
59.5 2.19 2
135.4 1.13 1
135.5 2.29 2
135.6 4.01 4
135.7 6.31 6
135.8 9.05 9
135.9 11.66 11
136.0 13.43 13
136.1 14.0 13
136.2 13.34 13
136.3 11.27 11
136.4 7.81 7
136.5 3.85 3
136.6 0.84 0
147.5 1.21 1
147.6 2.79 2
147.7 5.13 5
147.8 7.73 7
147.9 9.88 9
148.0 11.12 11
148.1 11.39 11
148.2 10.64 10
148.3 8.65 8
148.4 5.57 5
148.5 2.44 2
149.4 1.86 1
149.5 3.0 2
149.6 5.01 5
149.7 8.1 8
149.8 11.95 11
149.9 15.7 15
150.0 18.39 18
150.1 19.47 19
150.2 18.76 18
150.3 16.04 16
150.4 11.31 11
150.5 5.72 5
150.6 1.36 1
160.6 2.72 2
160.7 3.95 3
160.8 5.61 5
160.9 7.28 7
161.0 8.37 8
161.1 8.69 8
161.2 8.59 8
161.3 8.54 8
161.4 8.83 8
161.5 10.05 10
161.6 13.73 13
161.7 21.45 21
161.8 32.73 32
161.9 44.56 44
162.0 53.54 53
162.1 57.97 57
162.2 57.48 57
162.3 51.29 51
162.4 38.74 38
162.5 22.17 22
162.6 7.44 7
162.7 0.03 0
175.6 2.61 2
175.7 3.71 3
175.8 5.71 5
175.9 8.49 8
176.0 11.18 11
176.1 12.74 12
176.2 12.68 12
176.3 11.12 11
176.4 8.43 8
176.5 5.26 5
189.6 1.49 1
189.7 2.37 2
189.8 3.55 3
189.9 4.9 4
190.0 5.99 5
190.1 6.46 6
190.2 6.5 6
190.3 6.75 6
190.4 7.89 7
190.5 10.72 10
190.6 16.52 16
190.7 26.46 26
190.8 40.05 40
190.9 54.51 54
191.0 65.96 65
191.1 71.76 71
191.2 71.94 71
191.3 67.17 67
191.4 56.96 56
191.5 43.19 43
191.7 37.36 37
191.8 53.27 53
191.9 72.97 72
192.0 88.76 88
192.1 98.1 98
192.2 100.0 99
192.3 91.51 91
192.4 70.38 70
192.5 40.78 40
192.6 13.66 13
192.7 0.01 0
201.7 2.27 2
201.8 3.36 3
201.9 4.49 4
202.0 5.25 5
202.1 5.42 5
202.2 5.05 5
202.3 4.15 4
202.4 2.76 2
215.6 2.06 2
215.7 3.16 3
215.8 4.59 4
215.9 6.29 6
216.0 8.03 8
216.1 9.3 9
216.2 9.49 9
216.3 8.28 8
216.4 5.89 5
216.5 3.11 3
275.4 0.92 0
275.5 2.19 2
275.6 4.64 4
275.7 8.72 8
275.8 14.28 14
275.9 20.49 20
276.0 25.93 25
276.1 29.25 29
276.2 29.77 29
276.3 27.12 27
276.4 21.0 20
276.5 12.37 12
276.6 4.24 4
276.7 0.0 0
//