MassBank MassBank Search Contents Download

MassBank Record: MSBNK-EPA-ENTACT_AGILENT001818

4-(2-Hydroxyethyl)-1-piperazineethanesulfonic acid; ESI-QTOF; MS2; CE: 10; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-EPA-ENTACT_AGILENT001818
RECORD_TITLE: 4-(2-Hydroxyethyl)-1-piperazineethanesulfonic acid; ESI-QTOF; MS2; CE: 10; [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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 239.1060042599
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-0090000000-45329227434905da20ec
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  88.07569 1.197832 11
  131.11789 4.124348 41
  239.106004 100 999
//

system version 2.2.7
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo