ACCESSION: MSBNK-EPA-ENTACT_AGILENT000070
RECORD_TITLE: 1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene acetaldehyde; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene acetaldehyde
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₅NO
CH$EXACT_MASS: 201.1153641082
CH$SMILES: CN1/C(=C/C=O)/C(C)(C)C2=CC=CC=C12
CH$IUPAC: InChI=1S/C13H15NO/c1-13(2)10-6-4-5-7-11(10)14(3)12(13)8-9-15/h4-9H,1-3H3/b12-8+
CH$LINK: CAS 84-83-3
CH$LINK: INCHIKEY GCECACVNILMTRD-XYOKQWHBSA-N
CH$LINK: PUBCHEM CID:6789

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$FOCUSED_ION: PRECURSOR_M/Z 202.1226405599
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-0900000000-981b8e66fe6610bf91cf
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  44.049476 2.017068 20
  84.080776 1.230915 12
  91.054227 2.898999 28
  103.054227 1.832584 18
  115.054227 6.546465 65
  116.062052 1.223244 12
  117.069877 1.590352 15
  128.062052 1.414191 14
  130.065126 1.527465 15
  142.065126 3.327584 33
  143.072951 15.022887 150
  144.080776 26.607287 265
  154.065126 1.139702 11
  156.080776 3.316934 33
  157.088601 9.453763 94
  158.096426 100.000001 999
  168.080776 1.220809 12
  170.096426 3.579002 35
  172.07569 2.059748 20
  186.09134 8.053666 80
  187.099165 1.096158 10
//