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
//