MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003365
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
//