ACCESSION: MSBNK-EPA-ENTACT_AGILENT001001
RECORD_TITLE: 3-(Octyloxy)propan-1-amine; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 3-(Octyloxy)propan-1-amine
CH$NAME: DTXSID2044844
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₅NO
CH$EXACT_MASS: 187.1936144272
CH$SMILES: CCCCCCCCOCCCN
CH$IUPAC: InChI=1S/C11H25NO/c1-2-3-4-5-6-7-10-13-11-8-9-12/h2-12H2,1H3
CH$LINK: CAS 15930-66-2
CH$LINK: INCHIKEY RDCAZFAKCIEASQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:85192

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$FOCUSED_ION: PRECURSOR_M/Z 188.2008908789
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-052f-9000000000-2d7f446f244b8deffdc1
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  29.038577 2.301573 22
  30.033826 11.348703 113
  31.017841 1.397959 13
  39.022927 5.18231 51
  41.038577 91.654104 915
  42.033826 1.875986 18
  43.041651 15.278544 152
  43.054227 76.836604 767
  55.054227 3.999164 39
  57.069877 19.163585 191
  58.065126 100.000001 999
  59.049141 2.421525 24
//