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MassBank Record: MSBNK-RIKEN_NPDepo-NGA01227

Foliosidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-RIKEN_NPDepo-NGA01227
RECORD_TITLE: Foliosidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-0a4i-0039000000-533e59675c0327318b01
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  289.4 1.09 1
  289.5 2.24 2
  289.6 4.15 4
  289.7 7.44 7
  289.8 12.84 12
  289.9 20.2 20
  290.0 27.63 27
  290.1 32.44 32
  290.2 33.31 33
  290.3 30.63 30
  290.4 24.91 24
  290.5 16.6 16
  290.6 7.65 7
  290.7 1.21 1
  307.3 0.99 0
  307.4 3.08 3
  307.5 6.45 6
  307.6 11.41 11
  307.7 20.0 19
  307.8 34.96 34
  307.9 55.96 55
  308.0 77.81 77
  308.1 93.86 93
  308.2 100.0 99
  308.3 94.39 94
  308.4 76.16 76
  308.5 48.32 48
  308.6 20.19 20
  308.7 2.29 2
//

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