ACCESSION: MSBNK-EPA-ENTACT_AGILENT000700
RECORD_TITLE: PHA-00543613; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: PHA-00543613
CH$NAME: DTXSID6047284
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₇N₃O₂
CH$EXACT_MASS: 271.1320768091
CH$SMILES: O=C(NC1CN2CCC1CC2)C1C=C2C=COC2=CN=1
CH$IUPAC: InChI=1S/C15H17N3O2/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)
CH$LINK: CAS 478149-53-0
CH$LINK: INCHIKEY IPKZCLGGYKRDES-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9930121

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$FOCUSED_ION: PRECURSOR_M/Z 272.1393532608
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00di-0290000000-177676de4c06df168d1d
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  81.069877 1.23253 12
  82.065126 1.671086 16
  110.096426 18.974796 189
  118.02874 1.423177 14
  128.10699 3.667352 36
  146.023655 2.237976 22
  163.050204 1.530375 15
  199.086589 1.018591 10
  254.128789 5.028732 50
  272.139353 99.999999 999
//