ACCESSION: UF019912
RECORD_TITLE: Phenazine; APCI-ITFT; MS2; CE: 120; R=60000; [M+H]+;  direct infusion
DATE: 2012.05.28
AUTHORS: Krauss M, Schulze T, Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ GmbH, Leipzig, Germany
LICENSE: http://massbank.normandata.eu/MassBank/license.html
COPYRIGHT: Copyright (C) 2012
COMMENT: CONFIDENCE standard compound
COMMENT: WANA Internal ID 199
CH$NAME: Phenazine
CH$NAME: phenazine
CH$COMPOUND_CLASS: N/A; Environmental Standard
CH$FORMULA: C12H8N2
CH$EXACT_MASS: 180.06875
CH$SMILES: C1=CC2=NC3=CC=CC=C3N=C2C=C1
CH$IUPAC: InChI=1S/C12H8N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
CH$LINK: CAS 92-82-0
CH$LINK: PUBCHEM CID:4757
CH$LINK: INCHIKEY PCNDJXKNXGMECE-UHFFFAOYSA-N
CH$LINK: CHEMSPIDER 4593
AC$INSTRUMENT: LTQ Orbitrap XL Thermo Scientific
AC$INSTRUMENT_TYPE: APCI-ITFT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: IONIZATION APCI
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 120 (nominal)
AC$MASS_SPECTROMETRY: RESOLUTION 60000
AC$CHROMATOGRAPHY: COLUMN_NAME 
AC$CHROMATOGRAPHY: FLOW_GRADIENT 
AC$CHROMATOGRAPHY: FLOW_RATE 
AC$CHROMATOGRAPHY: RETENTION_TIME 1.5 min
AC$CHROMATOGRAPHY: SOLVENT A 
AC$CHROMATOGRAPHY: SOLVENT B 
MS$FOCUSED_ION: BASE_PEAK 181.07542
MS$FOCUSED_ION: PRECURSOR_M/Z 181.07602
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE RMassBank
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  75.0227 2182.7 16
  77.0383 63575.2 485
  95.0488 45040.5 344
  96.0441 2596 19
  102.0335 7392.2 56
  104.0491 1739.8 13
  105.0443 38532 294
  120.0439 1847.8 14
  127.0538 2357.8 18
  128.0492 1342.7 10
  129.0442 7680.2 58
  130.0395 23199.5 177
  153.0566 1423.4 10
  154.0646 9541.5 72
  155.0598 7661 58
  167.0725 2165.3 16
  180.0677 2208.5 16
  181.0752 130756.8 999
