ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003312
RECORD_TITLE: BUTYL ISODECYL 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$NAME: BUTYL ISODECYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₃₄O₄
CH$EXACT_MASS: 362.24571
CH$SMILES: CCCCOC(=O)c(c1)c(ccc1)C(=O)OCCCCCCCC(C)C
CH$IUPAC: InChI=1S/C22H34O4/c1-4-5-16-25-21(23)19-14-10-11-15-20(19)22(24)26-17-12-8-6-7-9-13-18(2)3/h10-11,14-15,18H,4-9,12-13,16-17H2,1-3H3
CH$LINK: COMPTOX DTXSID70873283
CH$LINK: INCHIKEY IOVNHINTOHPELQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:39180

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$SPLASH: splash10-0002-1910000000-0a8dd234e89d099e1ea0
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  50 1.5 15
  51 1.6 16
  54 2.4 24
  55 7.2 72
  56 6.5 65
  65 2.4 24
  76 2.5 25
  77 0.3 3
  93 2.9 29
  104 3 30
  105 6.3 63
  106 0.08 1
  121 2.2 22
  122 2 20
  123 4.6 46
  149 99.99 999
  150 9.5 95
  151 1.2 12
  167 1 10
  205 0.97 10
  206 1.5 15
  223 12.2 122
  224 1.6 16
  278 0.45 5
  279 1.2 12
//