ACCESSION: UF017211
RECORD_TITLE: 1-Naphthaldehyde, 2-hydroxy-; APCI-ITFT; MS2; CE: 105; R=60000; [M]+;  direct infusion
DATE: 2012.05.29
AUTHORS: Gallampois C, 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 172
CH$NAME: 1-Naphthaldehyde, 2-hydroxy-
CH$NAME: 2-hydroxy-1-naphthalenecarboxaldehyde
CH$COMPOUND_CLASS: N/A; Environmental Standard
CH$FORMULA: C11H8O2
CH$EXACT_MASS: 172.0524
CH$SMILES: c1ccc2c(c1)ccc(c2C=O)O
CH$IUPAC: InChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H
CH$LINK: CAS 708-06-5
CH$LINK: PUBCHEM CID:12819
CH$LINK: INCHIKEY NTCCNERMXRIPTR-UHFFFAOYSA-N
CH$LINK: CHEMSPIDER 12291
AC$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 105 (nominal)
AC$MASS_SPECTROMETRY: RESOLUTION 60000
AC$CHROMATOGRAPHY: COLUMN_NAME 
AC$CHROMATOGRAPHY: FLOW_GRADIENT 
AC$CHROMATOGRAPHY: FLOW_RATE 
AC$CHROMATOGRAPHY: RETENTION_TIME 0.6 min
AC$CHROMATOGRAPHY: SOLVENT A 
AC$CHROMATOGRAPHY: SOLVENT B 
MS$FOCUSED_ION: BASE_PEAK 173.05861
MS$FOCUSED_ION: PRECURSOR_M/Z 172.05188
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
MS$DATA_PROCESSING: WHOLE RMassBank
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  115.0542 124613.1 999
  116.0575 9868.7 79
  116.062 17220.2 138
  126.0463 8139.2 65
  128.0619 10066.6 80
  143.049 14217.6 113
  144.0569 13477.5 108
  155.0604 2576.4 20
  171.044 11305.7 90
