ACCESSION: MSBNK-EPA-ENTACT_AGILENT002359
RECORD_TITLE: N-Methylethanolamine; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0006-9000000000-a22e95b6b73924e99df9
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  29.002191 2.753714 27
  29.038577 3.284039 32
  30.010016 5.368874 53
  30.033826 8.450733 84
  32.049476 5.847975 58
  41.026001 7.077334 70
  42.010016 10.925845 109
  42.033826 100.000004 999
  43.017841 70.380102 703
  43.041651 34.78278 347
  43.054227 1.675129 16
  44.049476 40.316627 402
  44.062052 3.652568 36
  45.033491 51.644898 515
  56.049476 13.160044 131
  57.057301 4.317463 43
  58.065126 5.824568 58
//