ACCESSION: MSBNK-EPA-ENTACT_AGILENT000374
RECORD_TITLE: 1,1,2-Trimethyl-1H-benzo[e]indole; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-000x-0900000000-e332ef252130b60d3c83
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  44.049476 1.823437 18
  151.054227 2.485312 24
  152.062052 7.290258 72
  153.069877 5.486131 54
  167.085527 1.357548 13
  178.065126 3.08217 30
  179.072951 1.768342 17
  180.080776 50.501869 504
  193.088601 3.894525 38
  194.096426 100 999
  195.104251 8.471091 84
//