MassBank Record: MSBNK-EPA-ENTACT_AGILENT002360
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
//