ACCESSION: MSBNK-EPA-ENTACT_AGILENT000071
RECORD_TITLE: 1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene acetaldehyde; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-052r-0910000000-16534fc5669ef69a54db
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  62.06004 4.097019 40
  85.064791 1.429396 14
  102.09134 7.33068 73
  144.080776 3.103226 31
  145.088601 1.092926 10
  158.096426 50.913874 508
  159.104251 13.840364 138
  160.112076 3.647753 36
  170.096426 2.249825 22
  172.07569 2.457649 24
  172.112076 1.597346 15
  186.09134 2.993086 29
  187.099165 99.999996 999
  202.122641 41.827486 417
//