ACCESSION: MSBNK-NILU-NL0058
RECORD_TITLE: bis(2-Butoxyethyl)phthalate; GC-EI-FT; MS; Positive
DATE: 2024.08.05
AUTHORS: MILK, NILU
LICENSE: CC BY
COPYRIGHT: MILK, NILU

CH$NAME: bis(2-Butoxyethyl)phthalate
CH$NAME: bis(2-butoxyethyl) benzene-1,2-dicarboxylate
CH$COMPOUND_CLASS: Non-Natural Product; Phthalate
CH$FORMULA: C₂₀H₃₀O₆
CH$EXACT_MASS: 366.20424
CH$SMILES: CCCCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCCC
CH$IUPAC: InChI=1S/C20H30O6/c1-3-5-11-23-13-15-25-19(21)17-9-7-8-10-18(17)20(22)26-16-14-24-12-6-4-2/h7-10H,3-6,11-16H2,1-2H3

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 2332.894

MS$FOCUSED_ION: BASE_PEAK 149.0235

PK$SPLASH: splash10-0002-0900000000-d1efc165559151e0e1e0
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  53.03862 155343 4
  55.01783 58443 1
  55.05434 728832 18
  56.0621 266698 6
  70.07319 127434 3
  73.02851 278543 7
  77.03862 574268 14
  79.05427 355931 9
  81.06991 309878 7
  83.04927 81919 2
  83.08549 175869 4
  84.09346 71884 2
  85.10131 331728 8
  86.10462 99976 2
  89.0386 132676 3
  92.02579 80855 2
  92.06207 270615 7
  93.03355 852516 21
  98.07262 254909 6
  101.05975 89151 2
  103.01793 48819 1
  105.07003 317590 8
  109.10146 75168 2
  111.04407 143745 3
  111.11695 113372 3
  118.04131 76443 2
  119.08546 245650 6
  123.04402 718042 17
  123.1169 43738 1
  124.04756 51435 1
  128.0623 209882 5
  129.09076 81695 2
  131.04935 71846 2
  131.0854 132684 3
  133.02834 281378 7
  133.1012 58648 1
  134.03653 58255 1
  136.05199 239828 6
  141.07008 132277 3
  146.03601 170854 4
  147.04355 175126 4
  147.11652 59909 1
  148.54704 192595 5
  148.92145 137601 3
  148.95119 196877 5
  149.02345 41531196 999
  149.05516 720546 17
  149.12305 308563 7
  149.50183 90193 2
  150.02675 15174425 365
  151.02734 1384863 33
  152.03059 141394 3
  155.0861 153329 4
  159.07999 166247 4
  159.11659 236843 6
  165.0179 81203 2
  165.06995 271860 7
  177.05045 149486 4
  189.06964 115463 3
  191.00081 60575 1
  234.1201 297546 7
  251.12766 993166 24
  252.1311 327877 8
//