ACCESSION: MSBNK-EPA-ENTACT_AGILENT000384
RECORD_TITLE: Hexamethyleneimine; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Hexamethyleneimine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₃N
CH$EXACT_MASS: 99.1047994221
CH$SMILES: C1CCCCCN1
CH$IUPAC: InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2
CH$LINK: CAS 111-49-9
CH$LINK: INCHIKEY ZSIQJIWKELUFRJ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8119

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$FOCUSED_ION: PRECURSOR_M/Z 100.1120758738
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4u-9000000000-51a71d8340d7c80376f9
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  29.038577 6.476594 64
  30.033826 17.105707 170
  30.046402 1.878103 18
  39.022927 56.487347 564
  41.038577 94.518344 944
  42.033826 7.994392 79
  42.046402 1.16486 11
  43.041651 9.869085 98
  44.049476 2.145093 21
  53.038577 16.044404 160
  55.054227 100.000004 999
  56.049476 4.571504 45
  77.038577 5.770707 57
//