ACCESSION: MSBNK-EPA-ENTACT_AGILENT000630
RECORD_TITLE: N-Phenyldiethanolamine; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-001i-0900000000-bccc3973ac01f45e26a7
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  106.065126 2.995611 29
  118.065126 1.375536 13
  119.072951 4.571076 45
  120.080776 16.964606 169
  137.083515 2.555336 25
  138.09134 4.208272 42
  146.096426 5.585456 55
  164.10699 25.227255 252
  182.117555 99.999996 999
//