ACCESSION: MSBNK-EPA-ENTACT_AGILENT001535
RECORD_TITLE: 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol; ESI-QTOF; MS2; CE: 10; [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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 210.123703197
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-01qd-4910000000-8ab8ff3765eff13d5b42
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  44.049476 10.971318 109
  73.088601 7.460514 74
  79.041651 2.014557 20
  80.049476 15.666119 156
  84.080776 40.265791 402
  93.057301 88.713924 886
  93.091006 2.400535 23
  93.114816 1.105756 11
  100.07569 1.546359 15
  106.065126 5.599382 55
  108.04439 2.522916 25
  109.052215 6.251488 62
  109.076025 1.097303 10
  119.072951 5.518353 55
  120.080776 9.222041 92
  121.052215 11.956733 119
  121.088601 17.990587 179
  122.06004 4.589037 45
  123.067865 17.949013 179
  130.065126 1.790063 17
  131.072951 1.434059 14
  132.080776 5.304096 52
  137.083515 1.002453 10
  148.07569 5.469726 54
  149.083515 99.999999 999
  150.09134 1.004812 10
  161.107325 2.702302 26
  162.11515 30.321482 302
  180.125715 99.337727 992
  192.113139 1.081014 10
  210.123703 69.744602 696
//