MassBank Record: MSBNK-EPA-ENTACT_AGILENT001820

4-(2-Hydroxyethyl)-1-piperazineethanesulfonic acid; ESI-QTOF; MS2; CE: 40; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT001820
RECORD_TITLE: 4-(2-Hydroxyethyl)-1-piperazineethanesulfonic acid; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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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

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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 40

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MS$FOCUSED_ION: PRECURSOR_M/Z 237.0914513565
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-004i-9000000000-0ac8e3f6fb401769edfc
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  79.957363 99.999999 999
  79.990378 3.067386 30
  80.004982 1.803449 18
  80.965188 2.596959 25
  93.973013 1.548351 15
  106.980838 2.211299 22
//