ACCESSION: MSBNK-EPA-ENTACT_AGILENT000382
RECORD_TITLE: Hexamethyleneimine; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0a4i-9300000000-19d9ad1506322bc801a9
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  30.033826 5.526624 55
  39.022927 1.368393 13
  41.038577 7.654105 76
  44.049476 1.451098 14
  55.054227 100.000003 999
  83.085527 3.096078 30
  100.112076 44.566454 445
//