ACCESSION: MSBNK-EPA-ENTACT_AGILENT000375
RECORD_TITLE: 1,1,2-Trimethyl-1H-benzo[e]indole; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1,1,2-Trimethyl-1H-benzo[e]indole
CH$NAME: DTXSID4044668
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₅N
CH$EXACT_MASS: 209.1204494859
CH$SMILES: CC1=NC2C=CC3C=CC=CC=3C=2C1(C)C
CH$IUPAC: InChI=1S/C15H15N/c1-10-15(2,3)14-12-7-5-4-6-11(12)8-9-13(14)16-10/h4-9H,1-3H3
CH$LINK: CAS 41532-84-7
CH$LINK: INCHIKEY WJZSZXCWMATYFX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:170530

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$FOCUSED_ION: PRECURSOR_M/Z 210.1277259376
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-0920000000-f6ace91f8b41fa6031eb
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  86.096426 7.190287 71
  178.077702 1.124013 11
  180.080776 4.395989 43
  193.101177 1.183804 11
  194.096426 6.11595 61
  195.104251 100.000004 999
  210.127726 28.612263 285
//