|
|
Detailed description of Isotopologue codes in GEISA 2015
|
Molecule
|
Molecule Code
|
Isotope Code
|
Formula
|
|
H2O
|
1
|
161
|
H16OH
|
|
171
|
H17OH
|
|
181
|
H18OH
|
|
262
|
D216O
|
|
282
|
D218O
|
|
CO2
|
2
|
626
|
16O12C16O
|
|
636
|
16O13C16O
|
|
628
|
16O12C18O
|
|
627
|
16O12C17O
|
|
638
|
16O13C18O
|
|
637
|
16O13C17O
|
|
828
|
18O12C18O
|
|
728
|
17O12C18O
|
|
727
|
17O12C17O
|
|
838
|
18O13C18O
|
|
738
|
17O13C18O
|
|
737
|
17O 13C17O
|
|
O3
|
3
|
666
|
16O16O16O
|
|
668
|
16O16O18O
|
|
686
|
16O18O16O
|
|
667
|
16O16O17O
|
|
676
|
16O17O16O
|
|
N2O
|
4
|
446
|
14N14N16O
|
|
447
|
14N14N17O
|
|
448
|
14N14N18O
|
|
456
|
14N15N16O
|
|
546
|
15N14N16O
|
|
458
|
14N14N18O
|
|
548
|
15N14N18O
|
|
556
|
15N15N16O
|
|
CO
|
5
|
26
|
12C16O
|
|
27
|
12C17O
|
|
28
|
12C18O
|
|
36
|
13C16O
|
|
37
|
13C17O
|
|
38
|
13C18O
|
|
CH4
|
6
|
211
|
12CH4
|
|
311
|
13CH4
|
|
O2
|
7
|
66
|
16O16O
|
|
67
|
16O17O
|
|
68
|
16O18O
|
|
NO
|
8
|
46
|
14N16O
|
|
48
|
14N18O
|
|
56
|
15N16O
|
|
SO2
|
9
|
626
|
32S16O2
|
|
646
|
34S16O2
|
|
NO2
|
10
|
646
|
14N16O2
|
|
NH3
|
11
|
411
|
14NH3
|
|
511
|
15NH3
|
|
PH3
|
12
|
131
|
31PH3
|
|
HNO3
|
13
|
146
|
H14N16O
|
|
156
|
H15N16O
|
|
OH
|
14
|
61
|
16OH
|
|
62
|
16OD
|
|
81
|
18OH
|
|
HF
|
15
|
19
|
H19F
|
|
HCl
|
16
|
15
|
H35Cl
|
|
17
|
H37Cl
|
|
HBr
|
17
|
11
|
H81Br
|
|
19
|
H79Br
|
|
HI
|
18
|
17
|
H127I
|
|
ClO
|
19
|
56
|
35Cl16O
|
|
76
|
37Cl16O
|
|
OCS
|
20
|
622
|
16O12C32S
|
|
623
|
16O12C33S
|
|
624
|
16O12C34S
|
|
632
|
16O13C32S
|
|
634
|
16O13C34S
|
|
822
|
18O12C32S
|
|
H2CO
|
21
|
126
|
H212C16O
|
|
128
|
H212C18O
|
|
136
|
H213C16O
|
|
C2H6
|
22
|
226
|
12C2H6
|
|
236
|
12C13CH6
|
|
CH3D
|
23
|
212
|
12CH3D
|
|
312
|
13CH3D
|
|
C2H2
|
24
|
221
|
12C2H2
|
|
231
|
12C13CH2
|
|
C2H4
|
25
|
211
|
12C2H4
|
|
311
|
12C13CH4
|
|
GeH4
|
26
|
411
|
74GeH4
|
|
HCN
|
27
|
124
|
H12C14N
|
|
125
|
H13C15N
|
|
134
|
H13C14N
|
|
224
|
D12C14N
|
|
C3H8
|
28
|
221
|
12C3H8
|
|
C2N2
|
29
|
224
|
12C214N2
|
|
C4H2
|
30
|
211
|
12C4H2
|
|
HC3N
|
31
|
124
|
H12C314N
|
|
HOCl
|
32
|
165
|
H16O35Cl
|
|
167
|
H16O37Cl
|
|
N2
|
33
|
44
|
14N14N
|
|
CH3Cl
|
34
|
215
|
12CH335Cl
|
|
217
|
12CH337Cl
|
|
H2O2
|
35
|
166
|
H216O16O
|
|
H2S
|
36
|
121
|
H232S
|
|
131
|
H233S
|
|
141
|
H234S
|
|
HCOOH
|
37
|
261
|
H12C16O16OH
|
|
COF2
|
38
|
269
|
12C16O19F2
|
|
SF6
|
39
|
29
|
32S19F6
|
|
C3H4
|
40
|
341
|
12C3H6
|
|
HO2
|
41
|
166
|
H16O2
|
|
ClONO2
|
42
|
564
|
15Cl16O14N16O2
|
|
764
|
17Cl16O14N16O2
|
|
CH3Br
|
43
|
79
|
12CH379Br
|
|
81
|
12CH381Br
|
|
CH3OH
|
44
|
216
|
12CH316OH
|
|
NO+
|
45
|
46
|
14N16O+
|
|
HNC
|
46
|
142
|
H14N12C
|
|
C6H6
|
47
|
266
|
12C6H6
|
|
C2HD
|
48
|
122
|
12C2HD
|
|
CF4
|
49
|
291
|
12C15F4
|
|
CH3CN
|
50
|
234
|
12CH312C14N
|
|
HDO
|
51
|
162
|
H16OD
|
|
172
|
H17OD
|
|
182
|
H18OD
|
|
SO3
|
52
|
26
|
32S16O3
|
|
