MassBank Record: MSBNK-EPA-ENTACT_AGILENT001679
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001679
RECORD_TITLE: N-(Butoxymethyl)acrylamide; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: N-(Butoxymethyl)acrylamide
CH$NAME: DTXSID9027443
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H15NO2
CH$EXACT_MASS: 157.1102787305
CH$SMILES: CCCCOCNC(=O)C=C
CH$IUPAC: InChI=1S/C8H15NO2/c1-3-5-6-11-7-9-8(10)4-2/h4H,2-3,5-7H2,1H3,(H,9,10)
CH$LINK: CAS
1852-16-0
CH$LINK: INCHIKEY
UTSYWKJYFPPRAP-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:15817
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$FOCUSED_ION: PRECURSOR_M/Z 158.1175551822
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-0059-9000000000-f5225a95fb0b728f4b4e
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
47.00018 1.906733 19
55.017841 4.36771 43
61.007276 7.135326 71
62.015101 5.151296 51
63.022927 1.29323 12
63.994366 24.222965 241
65.002191 6.709973 67
65.99744 1.0996 10
79.017841 100.000002 999
79.054227 2.439743 24
80.025666 87.152536 870
80.062052 2.172438 21
81.020915 3.638918 36
//
system version 2.2.8-SNAPSHOT