ACCESSION: MSBNK-EPA-ENTACT_AGILENT002358
RECORD_TITLE: N-Methylethanolamine; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N-Methylethanolamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₉NO
CH$EXACT_MASS: 75.0684139168
CH$SMILES: CNCCO
CH$IUPAC: InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3
CH$LINK: CAS 109-83-1
CH$LINK: INCHIKEY OPKOKAMJFNKNAS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8016

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$FOCUSED_ION: PRECURSOR_M/Z 76.0756903685
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-9000000000-ce31b8fef3e88b4c1c34
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  30.033826 1.161167 11
  43.041651 2.317561 23
  45.033491 12.979254 129
  56.049476 2.471129 24
  58.065126 99.999997 999
  76.07569 33.97174 339
//