MassBank Record: MSBNK-EPA-ENTACT_AGILENT001676
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001676
RECORD_TITLE: N-(Butoxymethyl)acrylamide; ESI-QTOF; MS2; CE: 10; [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 10
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: splash10-0059-9000000000-5512d382592909e81ba1
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
55.017841 3.012835 30
63.994366 4.268246 42
79.017841 99.999997 999
79.054227 2.716281 27
80.025666 82.575563 824
80.062052 2.030987 20
81.020915 4.591185 45
84.04439 1.114004 11
//
system version 2.2.8-SNAPSHOT