ACCESSION: MSBNK-EPA-ENTACT_AGILENT000421
RECORD_TITLE: 2,2'-[(4-Methylphenyl)imino]diethanol; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2,2'-[(4-Methylphenyl)imino]diethanol
CH$NAME: DTXSID0044650
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₇NO₂
CH$EXACT_MASS: 195.1259287943
CH$SMILES: CC1=CC=C(C=C1)N(CCO)CCO
CH$IUPAC: InChI=1S/C11H17NO2/c1-10-2-4-11(5-3-10)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3
CH$LINK: CAS 3077-12-1
CH$LINK: INCHIKEY JUVSRZCUMWZBFK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:76497

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$FOCUSED_ION: PRECURSOR_M/Z 196.133205246
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00di-4900000000-dab1361e364a3d99369b
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  45.033491 10.502889 104
  65.038577 7.299421 72
  77.038577 5.261054 52
  79.054227 2.360057 23
  91.054227 41.983824 419
  92.062052 8.213242 82
  93.057301 2.262073 22
  93.069877 9.345753 93
  103.054227 1.240867 12
  104.049476 1.125986 11
  105.069877 2.918441 29
  106.065126 8.931018 89
  107.072951 5.534556 55
  115.054227 1.329253 13
  117.057301 4.219604 42
  117.069877 1.803291 18
  118.065126 18.646013 186
  119.072951 8.344899 83
  120.080776 100 999
  130.065126 1.363551 13
  132.080776 13.576027 135
  133.088601 1.265803 12
  134.096426 5.180114 51
  144.080776 1.217363 12
//