ACCESSION: MSBNK-EPA-ENTACT_AGILENT000293
RECORD_TITLE: Nor-nitrogen mustard; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Nor-nitrogen mustard
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₉Cl₂N
CH$EXACT_MASS: 141.0112047145
CH$SMILES: ClCCNCCCl
CH$IUPAC: InChI=1S/C4H9Cl2N/c5-1-3-7-4-2-6/h7H,1-4H2
CH$LINK: CAS 334-22-5
CH$LINK: INCHIKEY TXFLGZOGNOOEFZ-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$FOCUSED_ION: PRECURSOR_M/Z 142.0184811662
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-3900000000-22b8301ac3fa4aff529e
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  44.049476 8.60989 86
  62.999604 35.355821 353
  80.026153 1.270208 12
  101.002678 4.663196 46
  106.041803 4.304901 43
  142.018481 100 999
//