MassBank Record: MSBNK-EPA-ENTACT_AGILENT000665
ACCESSION: MSBNK-EPA-ENTACT_AGILENT000665
RECORD_TITLE: N'-[3-(Dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: N'-[3-(Dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
CH$NAME: DTXSID7044974
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H25N3
CH$EXACT_MASS: 187.2048478197
CH$SMILES: CN(C)CCCNCCCN(C)C
CH$IUPAC: InChI=1S/C10H25N3/c1-12(2)9-5-7-11-8-6-10-13(3)4/h11H,5-10H2,1-4H3
CH$LINK: CAS
6711-48-4
CH$LINK: INCHIKEY
BXYVQNNEFZOBOZ-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:81207
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$FOCUSED_ION: PRECURSOR_M/Z 188.2121242714
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-0a4i-9000000000-e42d0f4a843118d80a82
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
42.033826 3.883028 38
43.041651 1.36664 13
44.049476 2.866366 28
56.049476 1.367412 13
58.065126 100.000003 999
70.065126 8.984009 89
71.072951 1.319159 13
72.080776 2.317109 23
86.096426 13.565673 135
98.096426 3.858213 38
//
system version 2.2.8-SNAPSHOT