ACCESSION: MSBNK-EPA-ENTACT_AGILENT002193
RECORD_TITLE: PharmaGSID_47333; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: PharmaGSID_47333
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₃₀N₄O₂
CH$EXACT_MASS: 382.2368762312
CH$SMILES: CC1N=CC(=CN=1)C(CC(O)=O)CCCCCCC1C=CC2CCCNC=2N=1
CH$IUPAC: InChI=1S/C22H30N4O2/c1-16-24-14-19(15-25-16)18(13-21(27)28)7-4-2-3-5-9-20-11-10-17-8-6-12-23-22(17)26-20/h10-11,14-15,18H,2-9,12-13H2,1H3,(H,23,26)(H,27,28)
CH$LINK: INCHIKEY NJDBZBVQIMZWPP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9951932

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$FOCUSED_ION: PRECURSOR_M/Z 383.2441526829
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001i-0009000000-8274e539d11dceb73017
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
365.233588 2.154759 21
383.244153 99.999999 999
//