ACCESSION: MSBNK-NILU-NL0042
RECORD_TITLE: Bis(2-ethoxyethyl) phthalate; GC-EI-FT; MS; Positive
DATE: 2024.08.05
AUTHORS: MILK, NILU
LICENSE: CC BY
COPYRIGHT: MILK, NILU

CH$NAME: Bis(2-ethoxyethyl) phthalate
CH$NAME: bis(2-ethoxyethyl) benzene-1,2-dicarboxylate
CH$COMPOUND_CLASS: Non-Natural Product; Phthalate
CH$FORMULA: C₁₆H₂₂O₆
CH$EXACT_MASS: 310.141638
CH$SMILES: CCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCC
CH$IUPAC: InChI=1S/C16H22O6/c1-3-19-9-11-21-15(17)13-7-5-6-8-14(13)16(18)22-12-10-20-4-2/h5-8H,3-4,9-12H2,1-2H3

AC$INSTRUMENT: Thermo Scientific Q Exactive GC Hybrid Quadrupol-Orbitrap
AC$INSTRUMENT_TYPE: GC-EI-FT
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
AC$CHROMATOGRAPHY: KOVATS_RTI 2100

MS$FOCUSED_ION: BASE_PEAK 149.02344

PK$SPLASH: splash10-0002-0900000000-02976b18797e8633e5bb
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  104.0257 11775663 139
  105.02918 931887 11
  105.03365 3134529 37
  121.02855 7116228 84
  122.03618 1101321 13
  132.02057 1948491 23
  132.05692 3388680 40
  133.02834 1016604 12
  133.06479 14825475 175
  134.06824 1440189 17
  135.04405 931887 11
  147.04375 931887 11
  148.05183 10928493 129
  149.02344 84632283 999
  149.05556 931887 11
  150.02673 7539813 89
  167.03389 1101321 13
  176.04677 14232456 168
  177.0502 1524906 18
  193.04944 20247363 239
  194.05287 2202642 26
//