MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003693

TRIBUTYL BORATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003693
RECORD_TITLE: TRIBUTYL BORATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

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CH$NAME: TRIBUTYL BORATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₇BO₃
CH$EXACT_MASS: 230.20533
CH$SMILES: CCCCO[B](OCCCC)OCCCC
CH$IUPAC: InChI=1S/C12H27BO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
CH$LINK: INCHIKEY LGQXXHMEBUOXRP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9026184

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AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a4i-9100000000-6b2a87cfc4ea139a3acc
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 8 80
  28 30 300
  29 22 220
  31 0.8 8
  41 28 280
  42 5 50
  43 7 70
  45 0.08 1
  55 26 260
  56 43 430
  57 99.99 999
  58 0.05 1
  73 1 10
  101 20 200
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  131 0.12 1
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  174 4 40
  187 0.12 1
  230 9 90
//