ACCESSION: MSBNK-EPA-ENTACT_AGILENT000744
RECORD_TITLE: 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₄₂N₂O
CH$EXACT_MASS: 350.3297139769
CH$SMILES: CCCCCCCC/C=C/CCCCCCCC1=NCCN1CCO
CH$IUPAC: InChI=1S/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h9-10,25H,2-8,11-21H2,1H3/b10-9+
CH$LINK: CAS 95-38-5
CH$LINK: INCHIKEY WGTDLPBPQKAPMN-MDZDMXLPSA-N
CH$LINK: PUBCHEM CID:7233

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$FOCUSED_ION: PRECURSOR_M/Z 351.3369904286
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0ue9-7809000000-b4ace2cd36f02a48b0e4
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  42.033826 1.001359 10
  55.041651 1.627272 16
  70.065126 2.163376 21
  83.060375 6.552785 65
  84.0682 51.881694 518
  85.076025 1.65338 16
  97.076025 18.873431 188
  98.08385 12.595315 125
  111.091675 7.559187 75
  113.070939 1.869895 18
  125.107325 8.284442 82
  128.094414 2.952733 29
  139.122975 1.126066 11
  141.102239 49.26412 492
  142.110065 1.036155 10
  153.138625 1.725676 17
  155.11789 19.822885 198
  167.154275 1.93628 19
  169.13354 1.104613 11
  181.169925 3.322294 33
  183.14919 4.388539 43
  197.16484 5.028334 50
  211.18049 1.222149 12
  251.21179 1.582244 15
  253.22744 2.149941 21
  307.310776 14.147223 141
  333.326426 1.729201 17
  351.33699 100.000001 999
//