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MassBank Record: BML81598

L-Histidine beta-naphthylamide; LC-APCI-QTOF; MS; NEGATIVE

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

ACCESSION: BML81598
RECORD_TITLE: L-Histidine beta-naphthylamide; LC-APCI-QTOF; MS; NEGATIVE
DATE: 2016.01.19 (Created 2012.10.26)
AUTHORS: Cuthbertson DJ, Johnson SR, Lange BM, Institute of Biological Chemistry, Washington State University
LICENSE: CC BY-SA
COMMENT: relative retention time with respect to 9-anthracene Carboxylic Acid is 0.257

CH$NAME: L-Histidine beta-naphthylamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H16N4O
CH$EXACT_MASS: 280.132411
CH$SMILES: C1=CC=C2C=C(C=CC2=C1)NC(=O)C(CC3=CN=CN3)N
CH$IUPAC: InChI=1S/C16H16N4O/c17-15(8-14-9-18-10-19-14)16(21)20-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,15H,8,17H2,(H,18,19)(H,20,21)
CH$LINK: CAS 7424-15-9
CH$LINK: CHEMSPIDER 99637
CH$LINK: PUBCHEM CID:110993
CH$LINK: INCHIKEY DKDILZBBFKZMRO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90995719

AC$INSTRUMENT: Agilent 1200 RRLC; Agilent 6520 QTOF
AC$INSTRUMENT_TYPE: LC-APCI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: SCANNING m/z 100-1000
AC$CHROMATOGRAPHY: COLUMN_NAME Agilent C8 Cartridge Column 2.1X30mm 3.5 micron (guard); Agilent SB-Aq 2.1x50mm 1.8 micron (analytical)
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 60 C
AC$CHROMATOGRAPHY: FLOW_GRADIENT linear from 98A/2B at 0 min to 2A/98B at 13 min, hold 6 min at 2A/98B, reequilibration 98A/2B (5 min)
AC$CHROMATOGRAPHY: FLOW_RATE 0.6 ml/min
AC$CHROMATOGRAPHY: RETENTION_TIME 1.897
AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid

PK$SPLASH: splash10-004i-0091000000-47d698684cbf8221cef4
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  279.1251235 4834396 999
  315.101802 593495 123
//

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