ACCESSION: MSBNK-EPA-ENTACT_AGILENT000628
RECORD_TITLE: N-Phenyldiethanolamine; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N-Phenyldiethanolamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₅NO₂
CH$EXACT_MASS: 181.1102787305
CH$SMILES: OCCN(CCO)C1C=CC=CC=1
CH$IUPAC: InChI=1S/C10H15NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2
CH$LINK: CAS 120-07-0
CH$LINK: INCHIKEY OJPDDQSCZGTACX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8416

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$FOCUSED_ION: PRECURSOR_M/Z 182.1175551822
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00di-1900000000-01ea94ab1d084ce2b1ec
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  45.033491 14.914187 148
  77.038577 2.926212 29
  79.054227 2.564286 25
  91.054227 2.770524 27
  93.057301 1.199588 11
  93.069877 1.525754 15
  94.065126 3.409139 34
  103.054227 3.976913 39
  104.049476 3.36562 33
  106.065126 33.690532 336
  117.057301 1.937452 19
  118.065126 12.002772 119
  119.072951 17.557956 175
  120.080776 100.000001 999
  130.065126 1.275852 12
  131.072951 2.743688 27
  137.083515 6.623538 66
  138.09134 5.316169 53
  146.096426 8.803896 87
  164.10699 18.988229 189
  182.117555 9.592346 95
//