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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003365

TRIS(1-CHLOROETHYL)PHOSPHATE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003365
RECORD_TITLE: TRIS(1-CHLOROETHYL)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$NAME: TRIS(1-CHLOROETHYL)PHOSPHATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12Cl3O4P
CH$EXACT_MASS: 283.95388
CH$SMILES: CC(Cl)OP(=O)(OC(C)Cl)OC(C)Cl
CH$IUPAC: InChI=1S/C6H12Cl3O4P/c1-4(7)11-14(10,12-5(2)8)13-6(3)9/h4-6H,1-3H3
CH$LINK: INCHIKEY DMUDPMBKQJNINF-UHFFFAOYSA-N

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$SPLASH: splash10-0002-9350000000-30c4f10c3628db4199bf
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  43 3.9 39
  44 3.2 32
  45 6.8 68
  49 2.3 23
  53 2.2 22
  54 13 130
  55 19.5 195
  56 1.78 18
  61 5.9 59
  62 34.2 342
  63 2.6 26
  65 1.09 11
  81 4.2 42
  99 99.99 999
  101 2.3 23
  111 0.26 3
  117 5.3 53
  125 11.6 116
  127 2 20
  137 0.36 4
  143 14.4 144
  145 4.2 42
  155 30.5 305
  161 0.43 4
  187 4.9 49
  205 12.9 129
  207 7.7 77
  211 3.34 33
  212 2.8 28
  223 11.2 112
  225 7.8 78
  235 0.65 7
  237 4.5 45
  249 55.9 559
  250 3.5 35
  251 3.15 32
  252 2.7 27
  253 5.7 57
//

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