MassBank Record: MSBNK-EPA-ENTACT_AGILENT001906
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001906
RECORD_TITLE: Hexamethylphosphoramide; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: Hexamethylphosphoramide
CH$NAME: DTXSID6020694
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H18N3OP
CH$EXACT_MASS: 179.1187487087
CH$SMILES: CN(C)P(=O)(N(C)C)N(C)C
CH$IUPAC: InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3
CH$LINK: CAS
680-31-9
CH$LINK: CHEMSPIDER
12158
CH$LINK: INCHIKEY
GNOIPBMMFNIUFM-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:12679
AC$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 180.1260251604
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-0006-9000000000-f0f4e39952fbd466b508
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
42.033826 5.773143 57
44.049476 100.000002 999
44.074938 3.765482 37
46.065126 1.110191 11
46.968128 2.511034 25
48.983778 2.13499 21
59.999762 3.757099 37
62.999428 1.140242 11
73.076025 6.264572 62
75.994677 6.184138 61
90.010327 1.327223 13
91.018152 4.293388 42
92.025977 12.344714 123
106.041627 1.726488 17
135.068176 5.595614 55
//
system version 2.2.8-SNAPSHOT