ACCESSION: MSBNK-EPA-ENTACT_AGILENT001000
RECORD_TITLE: 3-(Octyloxy)propan-1-amine; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0a4i-9000000000-067b9cdf1c790e868072
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  30.033826 1.941639 19
  41.038577 8.282996 82
  43.054227 14.114343 141
  57.069877 16.886669 168
  58.065126 100 999
  59.049141 6.041028 60
  71.085527 9.50802 94
  76.07569 5.595318 55
  188.200891 1.217665 12
//