ACCESSION: MSBNK-EPA-ENTACT_AGILENT002270
RECORD_TITLE: Nitrilotriacetic acid; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Nitrilotriacetic acid
CH$NAME: DTXSID6020939
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₉NO₆
CH$EXACT_MASS: 191.0429870283
CH$SMILES: OC(=O)CN(CC(O)=O)CC(O)=O
CH$IUPAC: InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)
CH$LINK: CAS 139-13-9
CH$LINK: INCHIKEY MGFYIUFZLHCRTH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8758

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$FOCUSED_ION: PRECURSOR_M/Z 192.05026348
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-9100000000-de91855baaa0a1ad63fe
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  42.033826 15.252388 152
  60.04439 33.448564 334
  88.039305 100.000002 999
  88.07569 1.746595 17
  118.04987 5.346591 53
  146.044784 15.223264 152
//