ACCESSION: MSBNK-EPA-ENTACT_AGILENT001815
RECORD_TITLE: 4-(2-Hydroxyethyl)-1-piperazineethanesulfonic acid; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-(2-Hydroxyethyl)-1-piperazineethanesulfonic acid
CH$NAME: DTXSID4044458
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈N₂O₄S
CH$EXACT_MASS: 238.0987278082
CH$SMILES: [O-]S(=O)(=O)CCN1CC[NH+](CCO)CC1
CH$IUPAC: InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
CH$LINK: CAS 7365-45-9
CH$LINK: INCHIKEY JKMHFZQWWAIEOD-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$FOCUSED_ION: PRECURSOR_M/Z 237.0914513565
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-4090000000-5ec5b743ac0e7bc73545
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  79.957363 47.561594 475
  79.990378 1.045017 10
  80.965188 2.119645 21
  106.980838 3.435824 34
  193.065237 1.37797 13
  207.080887 1.249629 12
  237.091451 100.000001 999
//