ACCESSION: MSBNK-EPA-ENTACT_AGILENT000072
RECORD_TITLE: 1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene acetaldehyde; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-0udi-0190000000-9c6a0f12419060950260
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  62.06004 1.562982 15
  102.09134 3.190582 31
  158.096426 2.901578 28
  159.104251 2.198985 21
  187.099165 11.78774 117
  202.122641 100 999
//