ACCESSION: MSBNK-EPA-ENTACT_AGILENT002057
RECORD_TITLE: 2-Isopropylaniline; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Isopropylaniline
CH$NAME: DTXSID6052328
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₃N
CH$EXACT_MASS: 135.1047994221
CH$SMILES: CC(C)C1C=CC=CC=1N
CH$IUPAC: InChI=1S/C9H13N/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,10H2,1-2H3
CH$LINK: CAS 643-28-7
CH$LINK: INCHIKEY YKOLZVXSPGIIBJ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:12561

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$FOCUSED_ION: PRECURSOR_M/Z 136.1120758738
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-1900000000-28e24aeeadbe42f0a195
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  91.054227 13.36361 133
  94.065126 11.184338 111
  106.065126 2.206636 22
  120.080776 10.865945 108
  134.096426 9.371985 93
  136.112076 100.000001 999
//