ACCESSION: MSBNK-EPA-ENTACT_AGILENT001532
RECORD_TITLE: 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol
CH$NAME: DTXSID8020880
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₅N₃O₂
CH$EXACT_MASS: 209.1164267453
CH$SMILES: CN(CCCC(O)C1C=NC=CC=1)N=O
CH$IUPAC: InChI=1S/C10H15N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8,10,14H,3,5,7H2,1H3
CH$LINK: CAS 76014-81-8
CH$LINK: INCHIKEY OGRXKBUCZFFSTL-UHFFFAOYSA-N

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 208.1091502936
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-9000000000-6f502128e57a417bb68a
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  41.014522 47.247804 472
  59.025086 99.999999 999
  59.050238 2.01202 20
  59.061472 1.027292 10
  78.034923 16.268195 162
//