This website uses technical necessary cookies (e.g. session ID) and in addition the Matomo web analytics tool. Matomo enables us to evaluate the use of our website in compliance with GDPR (Directive 95/46/EC). Data Privacy Policy
This banner can be opend with the 'Data Privacy'-button. Your consent to the use of Matomo can be revoked any time. To make that choice, please un-check below.

MassBank MassBank Search Contents Download

MassBank Record: MSBNK-BGC_Munich-RP018403

Pyocyanin; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+

Mass Spectrum
60.0080.00100.0120.0140.0160.0180.0200.0220.0m/z0.000200.0400.0600.0800.01000Abundance
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-BGC_Munich-RP018403
RECORD_TITLE: Pyocyanin; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
DATE: 2017.10.24
AUTHORS: BGC, Helmholtz Zentrum Muenchen
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2017
COMMENT: CONFIDENCE standard compound
COMMENT: INTERNAL_ID 184

CH$NAME: Pyocyanin
CH$NAME: 5-methylphenazin-1-one
CH$COMPOUND_CLASS: N/A; Metabolomics Standard
CH$FORMULA: C13H10N2O
CH$EXACT_MASS: 210.0793
CH$SMILES: C[n+]1c2ccccc2nc3c1cccc3[O-]
CH$IUPAC: InChI=1S/C13H10N2O/c1-15-10-6-3-2-5-9(10)14-13-11(15)7-4-8-12(13)16/h2-8H,1H3
CH$LINK: CAS 85-66-5
CH$LINK: PUBCHEM CID:6817
CH$LINK: INCHIKEY YNCMLFHHXWETLD-UHFFFAOYSA-N
CH$LINK: CHEMSPIDER 6558
CH$LINK: COMPTOX DTXSID9041108

AC$INSTRUMENT: maXis plus UHR-ToF-MS, Bruker Daltonics
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40
AC$CHROMATOGRAPHY: COLUMN_NAME BEH C18 1.7um, 2.1x100mm, Waters
AC$CHROMATOGRAPHY: FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1.12 min, 0.5/99.5 at 6.41 min, 0.5/99.5 at 10.01 min
AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
AC$CHROMATOGRAPHY: RETENTION_TIME 4.735 min
AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid
AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid

MS$FOCUSED_ION: BASE_PEAK 211.0862
MS$FOCUSED_ION: PRECURSOR_M/Z 211.0866
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
MS$DATA_PROCESSING: WHOLE RMassBank 2.4.0

PK$SPLASH: splash10-014i-0900000000-561480181cd4e0b2d8f7
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  66.0422 210 1
  67.0543 142 1
  77.038 2634 23
  79.0536 170 1
  80.0488 500 4
  81.0342 132 1
  90.033 374 3
  91.054 704 6
  92.0487 924 8
  95.0483 624 5
  96.0432 118 1
  101.0824 130 1
  104.0501 142 1
  105.0326 122 1
  105.0443 330 2
  114.0475 222 1
  116.0496 290 2
  118.0521 600 5
  119.0594 206 1
  129.0455 224 1
  131.0613 122 1
  136.0734 116 1
  139.0536 126 1
  140.0487 436 3
  141.0572 620 5
  142.0532 436 3
  143.0593 144 1
  154.0654 170 1
  156.0794 340 3
  166.0521 118 1
  166.0646 436 3
  167.0605 2342 20
  168.0677 112688 999
  169.0709 12516 110
  181.0759 4340 38
  182.0833 5280 46
  183.0911 13548 120
  192.0682 572 5
  193.0747 744 6
  196.0625 19344 171
  210.0793 124 1
  211.086 6242 55
  213.0913 116 1
//

Imprint Feedback
system version 2.2.8

Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium

Responsible: Tillmann G. Fischer

Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI4Chem – Projektnummer 441958208.

de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo