ACCESSION: MSBNK-Waters-WA002553
RECORD_TITLE: Noramidopyrine; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Noramidopyrine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₅N₃O
CH$EXACT_MASS: 217.12151
CH$SMILES: CNC(=C(C)1)C(=O)N(c(c2)cccc2)N(C)1
CH$IUPAC: InChI=1S/C12H15N3O/c1-9-11(13-2)12(16)15(14(9)3)10-7-5-4-6-8-10/h4-8,13H,1-3H3
CH$LINK: CAS 519-98-2
CH$LINK: INCHIKEY JILCEWWZTBBOFS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80199865

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 10.050 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0kur-0900000000-96a2486397f57a4b6b87
PK$NUM_PEAK: 78
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//