ACCESSION: MSBNK-EPA-ENTACT_AGILENT002360
RECORD_TITLE: N-Methylethanolamine; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0a4j-9000000000-1903e4a115fcce2e250e
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  30.033826 4.209006 42
  32.049476 1.334088 13
  41.038577 1.096797 10
  42.033826 9.087442 90
  43.017841 5.104398 50
  43.041651 20.733526 207
  44.049476 3.181958 31
  45.033491 67.609738 675
  45.057301 1.39575 13
  56.049476 16.859252 168
  57.057301 1.225061 12
  58.065126 100.000003 999
  76.07569 2.061875 20
//