MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012037
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012037
RECORD_TITLE: IODOETHANE (2,2,2-D3); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: IODOETHANE (2,2,2-D3)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2H5I
CH$EXACT_MASS: 155.94359
CH$SMILES: [2H]C([2H])([2H])CI
CH$IUPAC: InChI=1S/C2H5I/c1-2-3/h2H2,1H3/i1D3
CH$LINK: INCHIKEY
HVTICUPFWKNHNG-FIBGUPNXSA-N
CH$LINK: COMPTOX
DTXSID40452044
AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0560-9500000000-2d3c41c1e499441fb310
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
18 1.5 15
26 1.3 13
27 5.2 52
28 17.7 177
29 35.7 357
30 11.7 117
31 3.6 36
32 99.99 999
33 2.7 27
48 1.1 11
127 16.9 169
128 2.2 22
129 2.6 26
139 1 10
140 1.2 12
141 1.5 15
158 1.6 16
159 75.7 757
160 2.5 25
//