MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008791
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008791
RECORD_TITLE: TRICHLOROETHYLENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA
CH$NAME: TRICHLOROETHYLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2HCl3
CH$EXACT_MASS: 129.91438
CH$SMILES: ClC=C(Cl)Cl
CH$IUPAC: InChI=1S/C2HCl3/c3-1-2(4)5/h1H
CH$LINK: INCHIKEY
XSTXAVWGXDQKEL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0021383
AC$INSTRUMENT: HP 5970
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03ea-9200000000-655b220bf877474e22b4
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
35 26.73 267
36 11.23 112
37 18.29 183
38 18.64 186
39 52.34 523
40 10.74 107
41 60.29 603
42 7.8 78
47 16.2 162
48 9.16 92
49 18.39 184
51 5.64 56
59 13.38 134
60 51.77 518
61 18.19 182
62 80.88 809
63 92.92 929
64 23.56 236
65 30.48 305
66 4.24 42
75 4.91 49
76 34.66 347
77 9.78 98
78 12.76 128
93 12.04 120
95 88.24 882
96 12.66 127
97 64.55 646
99 11.29 113
130 99.99 999
132 88 880
134 29.98 300
136 5.61 56
//
system version 2.2.6-SNAPSHOT