ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003364
RECORD_TITLE: TRIS(2-ETHYLHEXYL)PHOSPHATE; 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$NAME: TRIS(2-ETHYLHEXYL)PHOSPHATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₅₁O₄P
CH$EXACT_MASS: 434.35250
CH$SMILES: CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC
CH$IUPAC: InChI=1S/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3
CH$LINK: INCHIKEY GTVWRXDRKAHEAD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021414

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$SPLASH: splash10-0kmj-9100000000-48bc6d9429f69071c070
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  50 2.4 24
  51 3.6 36
  53 11.8 118
  54 76.9 769
  55 24.7 247
  56 53.5 535
  67 12.2 122
  68 0.77 8
  69 27.1 271
  70 71.2 712
  71 24.8 248
  81 0.32 3
  82 3.4 34
  83 20.5 205
  84 6.1 61
  99 99.99 999
  111 3.2 32
  112 20 200
  113 33.6 336
  114 0.28 3
  211 17.6 176
  323 23.2 232
  324 4.2 42
//