MassBank Record: JP003365



 TRIS(1-CHLOROETHYL)PHOSPHATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //