ACCESSION: MSBNK-EPA-ENTACT_AGILENT000629
RECORD_TITLE: N-Phenyldiethanolamine; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-056r-9700000000-31b9f3e7ccb5de907e5d
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  42.033826 1.034941 10
  44.049476 4.703633 46
  45.033491 22.488015 224
  51.022927 8.132338 81
  65.038577 5.063765 50
  66.046402 1.469278 14
  77.038577 93.130654 930
  77.083515 1.229796 12
  78.046402 9.936018 99
  79.054227 17.502233 174
  80.049476 1.071386 10
  91.054227 15.774268 157
  92.049476 6.066068 60
  93.057301 11.878988 118
  94.065126 6.166403 61
  103.054227 9.721099 97
  104.049476 2.450297 24
  105.057301 1.336483 13
  106.065126 100.000001 999
  117.057301 2.593494 25
  118.065126 30.721439 306
  119.072951 5.375999 53
  120.080776 15.251987 152
  130.065126 4.397776 43
  132.080776 1.383467 13
//