ACCESSION: UF019914
RECORD_TITLE: Phenazine; APCI-ITFT; MS2; CE: 180; 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 180 (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 36282.9 999
  76.0179 12909.8 355
  77.0383 24020.1 661
  95.0488 12818.3 352
  102.0334 14480.5 398
  105.0443 12830.3 353
  120.0439 1404.5 38
  126.0459 1983 54
  127.0536 1558.4 42
  128.0488 1077.1 29
  129.0443 3865.3 106
  130.0395 17261.9 475
  153.0566 1169.2 32
  154.0645 2171.9 59
  155.0598 2219.7 61
  179.0596 2804.8 77
  180.0675 2135 58
  181.0753 5892.9 162
