ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003371
RECORD_TITLE: BUTOXYCARBONYLMETHYL BUTYL PHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: BUTOXYCARBONYLMETHYL BUTYL PHTHALATE
CH$NAME: BUTYL PHTHALYL BUTYL GLYCOLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₄O₆
CH$EXACT_MASS: 336.15729
CH$SMILES: CCCCOC(=O)COC(=O)c(c1)c(ccc1)C(=O)OCCCC
CH$IUPAC: InChI=1S/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3
CH$LINK: INCHIKEY GOJCZVPJCKEBQV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7023938

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-4920000000-55fa827b025ddd083bd7
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  54 3.6 36
  55 10.3 103
  56 16.5 165
  65 5.3 53
  76 8.1 81
  77 10.3 103
  93 3.4 34
  104 0.88 9
  105 4.6 46
  121 3.3 33
  132 2.1 21
  133 0.94 9
  149 99.99 999
  150 10.7 107
  163 4.2 42
  177 0.21 2
  205 9 90
  207 3.9 39
  223 8.7 87
  263 2.44 24
  264 3.5 35
  278 3.3 33
  281 2.9 29
  336 2.3 23
//