ACCESSION: MSBNK-RIKEN_NPDepo-NGA01225
RECORD_TITLE: Foliosidine; 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, Foliosidine alkaloids

CH$NAME: Foliosidine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₆H₂₁NO₅
CH$EXACT_MASS: 307.3495
CH$SMILES: COc1cc(=O)n(C)c2c(OCC(O)C(C)(C)O)cccc12
CH$IUPAC: InChI=1S/C16H21NO5/c1-16(2,20)13(18)9-22-11-7-5-6-10-12(21-4)8-14(19)17(3)15(10)11/h5-8,13,18,20H,9H2,1-4H3
CH$LINK: CAS 2520-38-9
CH$LINK: CHEMSPIDER 2114844 17346697
CH$LINK: INCHIKEY IUPYLWAXGAJZQC-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2837663

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$SPLASH: splash10-0a4i-0190000000-ea45d0bd071fdb866727
PK$NUM_PEAK: 98
PK$PEAK: m/z int. rel.int.
  173.7 4.85 4
  173.8 7.54 7
  173.9 9.97 9
  174.0 11.26 11
  174.1 11.47 11
  174.2 10.94 10
  174.3 9.57 9
  174.4 7.08 7
  174.5 3.94 3
  187.5 1.81 1
  187.6 3.03 3
  187.7 5.53 5
  187.8 9.18 9
  187.9 12.95 12
  188.0 15.72 15
  188.1 17.1 17
  188.2 16.99 16
  188.3 14.97 14
  188.4 10.87 10
  188.5 5.77 5
  188.6 1.7 1
  189.7 2.81 2
  189.8 4.58 4
  189.9 6.62 6
  190.0 8.14 8
  190.1 8.66 8
  190.2 8.16 8
  190.3 6.81 6
  190.7 4.1 4
  190.8 5.93 5
  190.9 8.11 8
  191.0 9.97 9
  191.1 10.93 10
  191.2 10.73 10
  191.3 9.28 9
  191.4 6.63 6
  191.5 3.51 3
  203.6 3.44 3
  203.7 5.47 5
  203.8 8.64 8
  203.9 11.79 11
  204.0 13.86 13
  204.1 14.82 14
  204.2 15.1 15
  204.3 14.84 14
  204.4 14.28 14
  204.5 14.4 14
  204.6 16.87 16
  204.7 24.58 24
  204.8 40.79 40
  204.9 64.46 64
  205.0 87.32 87
  205.1 100.0 99
  205.2 99.9 99
  205.3 89.51 89
  205.4 70.71 70
  205.5 47.1 47
  205.7 23.85 23
  205.8 34.23 34
  205.9 50.45 50
  206.0 63.23 63
  206.1 68.95 68
  206.2 67.72 67
  206.3 59.34 59
  206.4 43.48 43
  206.5 23.52 23
  206.6 6.69 6
  206.7 0.0 0
  217.6 2.19 2
  217.7 3.82 3
  217.8 6.38 6
  217.9 9.35 9
  218.0 11.69 11
  218.1 12.61 12
  218.2 12.03 12
  218.3 10.2 10
  218.4 7.36 7
  218.5 4.06 4
  229.7 2.62 2
  229.8 3.82 3
  229.9 5.05 5
  230.0 6.1 6
  230.1 6.73 6
  230.2 6.64 6
  230.3 5.58 5
  230.4 3.62 3
  289.5 2.15 2
  289.6 3.51 3
  289.7 6.04 6
  289.8 10.51 10
  289.9 16.9 16
  290.0 23.8 23
  290.1 28.83 28
  290.2 30.07 30
  290.3 26.97 26
  290.4 20.35 20
  290.5 12.01 11
  290.6 4.54 4
//