MassBank Record: MSBNK-EPA-ENTACT_AGILENT001263
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001263
RECORD_TITLE: N,N-Dimethyloctanamide; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: N,N-Dimethyloctanamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H21NO
CH$EXACT_MASS: 171.1623142996
CH$SMILES: CCCCCCCC(=O)N(C)C
CH$IUPAC: InChI=1S/C10H21NO/c1-4-5-6-7-8-9-10(12)11(2)3/h4-9H2,1-3H3
CH$LINK: CAS
1118-92-9
CH$LINK: INCHIKEY
VHRUBWHAOUIMDW-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:14240
AC$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 172.1695907513
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-0aba-9300000000-ac76bdb88ab9ed8507db
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
41.038577 15.301725 152
43.054227 33.356742 333
44.049476 1.80728 18
45.057301 3.109624 31
46.065126 98.697235 985
55.054227 3.605379 36
57.033491 2.15862 21
57.069877 100.000002 999
57.114816 1.272974 12
67.054227 3.602788 35
71.049141 1.600508 15
72.04439 17.235008 172
87.067865 1.744047 17
100.07569 1.14174 11
102.09134 11.079383 110
109.101177 1.903564 19
116.10699 14.453834 144
130.122641 4.289762 42
172.169591 82.000877 819
//
system version 2.2.8-SNAPSHOT