ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003581
RECORD_TITLE: PHOSPHORIC ACID TRI-N-BUTYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: PHOSPHORIC ACID TRI-N-BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H27O4P
CH$EXACT_MASS: 266.16470
CH$SMILES: CCCCOP(=O)(OCCCC)OCCCC
CH$IUPAC: InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
CH$LINK: INCHIKEY STCOOQWBFONSKY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3021986
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-9220000000-1fc08ca81be8fbce9239
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  27 3.79 38
  28 30.75 308
  29 9.23 92
  32 3.61 36
  41 13.69 137
  55 3.26 33
  56 2.98 30
  57 14.48 145
  99 99.99 999
  111 2.09 21
  125 5.62 56
  137 3.92 39
  155 32.35 324
  211 45.98 460
  212 3.43 34
//
