ACCESSION: MSBNK-EPA-ENTACT_AGILENT002056
RECORD_TITLE: 2-Isopropylaniline; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-00kf-9000000000-0a1eef6dc69b5b81e66f
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  39.022927 11.608773 115
  41.038577 21.141773 211
  43.054227 1.251682 12
  51.022927 30.311968 302
  53.038577 3.484365 34
  61.007276 2.234651 22
  63.022927 8.036276 80
  65.038577 100 999
  67.054227 1.5857 15
  68.049476 2.437837 24
  77.038577 48.691513 486
  78.046402 6.326641 63
  79.054227 7.243073 72
  91.054227 85.302847 852
  93.057301 7.64165 76
  94.065126 2.027464 20
  103.054227 9.530395 95
  106.065126 4.145305 41
  115.054227 7.838844 78
  118.065126 3.442408 34
  119.072951 1.116151 11
  120.080776 2.464358 24
//