ACCESSION: MSBNK-EPA-ENTACT_AGILENT001819
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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

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$SPLASH: splash10-000i-4690000000-70e928b96eef58067466
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  42.033826 1.448003 14
  44.049476 1.945493 19
  45.033491 3.57014 35
  58.065126 1.117769 11
  70.065126 8.398966 83
  84.080776 7.304163 72
  88.07569 19.657151 196
  97.076025 2.279231 22
  99.091675 2.867462 28
  100.07569 1.304694 13
  112.0995 8.513069 85
  128.094414 4.770577 47
  131.11789 41.238359 411
  143.11789 4.42958 44
  152.03759 11.755163 117
  157.13354 1.056734 10
  164.03759 2.116873 21
  192.056314 3.945314 39
  195.07979 1.573951 15
  221.09544 2.868234 28
  237.090354 2.376648 23
  239.106004 100.000005 999
//