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All three datasets make use of the SPTOBID variable to identify the tobacco product under study, and the STRFID INGCMPID (Substance Reference Identifier) variable to represent the ingredient name. STRFID INGCMPID must be assigned by study sponsors to be unique with regard to the attributes that describe it. If, for instance, the same ingredient varies on one or more attribute (e.g., two different manufacturers supplied the same ingredient, each with different purities, that is used in two different components of the product), STRFID INGCMPID must be unique for each use to reflect this difference, even if they share the same common name, and/or the same IUPAC name and CAS number. See IT example which illustrates this below.
The IT example below shows tobacco filler and the 4 types of tobacco of which it is comprised listed as tobacco ingredients (STRFIDINGCMPID) for the Tobacco Product CIG01A (SPTOBID). The variable ITSPECIF shows the specification (variety) of the first three tobaccos. ITCAT is used to indicate that Reconstituted Tobacco is a complex ingredient. (it has two more components) ITCURMTH indicates the cure method. ITCPISP is used to indicate whether complex purchased ingredients were made to the applicant's specification. TPMF indicates the Tobacco Product Master File. Note that there are two varieties of burley tobacco in this tobacco product, thus each is given a unique STRFID INGCMPID value (Burley Tobacco and Burley Tobacco 2).
Note that following the team discussion on 12/13/22, we have added tobacco filler to the IT dataset below, so that all values of STRFID INGCMPID in the IQ dataset have a match in IT (just as the top-level non-tobacco ingredients "FSC Paper B" and "Cellulose Filter A" are listed in the IN dataset). This allows for validation checks that every ingredient listed in the IT and IN datasets is quantified in the IQ data and vice versa. See note 4 in the comments section at the bottom of the page for more info
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| | STUDYID | SPTOBID | STRFIDINGCMPID | ITSPECIF | ITCAT | ITCURMTH | ITCPISP | TPMF |
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| 1 | IT | TOB07 | CIG01A | Tobacco Filler |
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| 2 | IT | TOB07 | CIG01A | Burley Tobacco | NC 7LC |
| Air |
| MF5555555 |
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| 3 | IT | TOB07 | CIG01A | Bright Tobacco | CC 1063 |
| Flue |
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| 4 | IT | TOB07 | CIG01A | Oriental Tobacco | USDA Nicotiana Collection PI 552747 |
| Sun |
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| 5 | IT | TOB07 | CIG01A | Reconstituted Tobacco |
| COMPLEX INGREDIENT |
| N |
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| 6 | IT | TOB07 | CIG01A | Burley Tobacco 2 | KT215LC |
| Air |
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The IN dataset example below shows the list of non-tobacco ingredients used in the tobacco product identified as CIG01A. Each unique ingredient is listed in STRFIDINGCMPID. Where applicable, IUPAC name and CAS number are listed (IUPACNAM and CASNO, respectively). INCAT is used to indicate whether an ingredient is a single chemical substance or a complex purchased ingredient. INSPFL indicates whether complex purchased ingredients were made to the applicant's specification. Grade, purity, manufacturer name and ID number, and the Tobacco Product Master File number complete the dataset.
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| Row | DOMAIN | STUDYID | SPTOBID | STRFIDINGCMPID | IUPACNAM | CASNO | INCAT | INSPYN | INGRADE | INPURTY | INMANUF | INMANUFN | TPMF |
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| 1 | IN | TOB07 | CIG01A | Cocoa Extract |
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| COMPLEX PURCHASED INGREDIENT | N |
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| Flavor House A | FLVR1234 | MF5555555 |
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| 2 | IN | TOB07 | CIG01A | Butyric Acid | butanoic acid | 107-92-6 | SINGLE CHEMICAL SUBSTANCE |
| Food | ≥99% |
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| 3 | IN | TOB07 | CIG01A | Cellulose Filter A |
| - | COMPLEX PURCHASED INGREDIENT | N |
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| MFR A | FIL789 |
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| 4 | IN | TOB07 | CIG01A | Cellulose Acetate | cellulose acetate | 9004-35-7 | SINGLE CHEMICAL SUBSTANCE |
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| 5 | IN | TOB07 | CIG01A | Triacetin | 1,3-diacetyloxypropan-2-yl acetate | 102-76-1 | SINGLE CHEMICAL SUBSTANCE |
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| 6 | IN | TOB07 | CIG01A | FSC Paper B |
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| COMPLEX PURCHASED INGREDIENT | N |
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| MFR B | FSC123 |
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| 7 | IN | TOB07 | CIG01A | Cellulose Pulp | cellulose pulp | 65996-61-4 | SINGLE CHEMICAL SUBSTANCE |
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| 8 | IN | TOB07 | CIG01A | Calcium Carbonate | calcium carbonate | 471-34-1 | SINGLE CHEMICAL SUBSTANCE |
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| 9 | IN | TOB07 | CIG01A | Sodium Alginate | sodium;3,4,5,6-tetrahydroxyoxane-2-carboxylate | 9005-38-3 | SINGLE CHEMICAL SUBSTANCE |
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| 10 | IN | TOB07 | CIG01A | Trisodium Citrate | trisodium;2-hydroxypropane-1,2,3-tricarboxylate | 6132-04-3 | SINGLE CHEMICAL SUBSTANCE |
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| 11 | IN | TOB07 | CIG01A | Cationic Starch | starch, 2-hydroxy-3-(trimethylammonio)propyl ether, chloride | 56780-58-6 | SINGLE CHEMICAL SUBSTANCE |
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| 12 | IN | TOB07 | CIG01A | Seam Adhesive |
| - | COMPLEX PURCHASED INGREDIENT | N |
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| MFR C | ADV123 | MF2345678 |
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| 13 | IN | TOB07 | CIG01A | Methylcellulose | (5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane | 9004-67-5 | SINGLE CHEMICAL SUBSTANCE |
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| 14 | IN | TOB07 | CIG01A | 1,3-Butanediol | 4,4,4-trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol | 34844-08-1 | SINGLE CHEMICAL SUBSTANCE |
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Finally, the IQ domain is used to represent the quantity (target, minimum and maximum) of each ingredient identified in STRFID INGCMPID that the product (SPTOBID) is designed to contain, with the units for these values represented in IQUNIT. The function of each ingredient is described in IQFUNCT. Ingredients that appear in more than one component of the tobacco product are quantified separately for each component. IQPARENT and IQLEVEL are used to identify the component/ingredient of which the ingredient in a record is a constituent component, and and at which level in the overall hierarchy the constituent ingredient appears. The following implementation rules apply:
- IQPARENT must correspond to a value of STRFID INGCMPID in the same dataset. If parent is null, the ingredient is considered a top-level component and is assigned a value of "1" in IQLEVEL.
- Records describing ingredients that are constituent ingredients of another ingredient/component listed in the dataset will have IQPARENT value equal to the STRFID INGCMPID of that ingredient/component. IQLEVEL will be set to n +1, where n=the parent record's value of IQLEVEL.
- Every value of STRFID INGCMPID used in the IQ dataset must have a matching value of STRFIDINGCMPID:
- In the IT dataset (when IQCAT=TOBACCO INGREDIENT) or,
- In the IN dataset (when IQCAT=NON-TOBACCO INGREDIENT)
- Therefore, IQCAT is required to relate ingredient quantity records in IQ to the associated ingredient attributes described in either IT or IN.
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| Rows 1, 13, 16: | Show three top-level components of a cigarette product: tobacco filler, filter, and cigarette paper, respectively. Their target, minimum and maximum quantities expressed in units of mg/cigarette are shown in IQTARG, IQMIN, IQMAX and IQUNIT. Because there is no parent component other than the finished product itself, IQPARENT is null, and IQLEVEL = 1, indicating that these are top-level ingredients/components of the finished product. | | Rows 2-5: | Show the quantities of four types of tobacco used in the product. IQPARENT=Tobacco Filler and IQLEVEL=2, together indicating that these are constituents of the tobacco filler, a top level-component of the cigarette product. | | Rows 6-8: | Show the three constituent tobacco ingredients that comprise reconstituted tobacco in row 5 (IQPARENT=Reconstituted Tobacco). The quantities of these tobaccos pertain to the quantity at which they appear in the reconstituted tobacco ONLY. Therefore, the total quantity of the individual tobaccos used in this tobacco product is the sum of these three plus the sum of the quantities shown in rows 1-3. IQLEVEL=3 to show that these ingredients are at the 3rd level of the hierarchy (constituents of an ingredient with IQLEVEL=2). | | Rows 9-10: | Show the quantities of two non-tobacco ingredients, Methylcellulose and 1,3-Butanediol, which are further constituent ingredients of Reconstituted Tobacco as indicated by IQPARENT. IQFUNCT shows that Methylcellulose functions as a binder and 1,3-Butanediol functions as a humectant. IQLEVEL=3 to show that these ingredients are at the 3rd level of the hierarchy. | | Rows 11-12: | Show the quantities of two constituent ingredients that both function as a flavorant in the tobacco filler (as indicated by IQFUNCT= Flavor and IQPARENT=Tobacco Filler). | | Rows 14-15: | Show the quantities of two constituent ingredients that function as filtration and plasticizer, respectively, in the filter portion of the cigarette (Cellulose Filter A, a top-level component shown in row 13). | | Rows 17-22: | Show the quantities and functions of six constituent ingredients of the top-level component FSC Paper B (the cigarette paper shown in row 16). |
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| Row | DOMAIN | STUDYID | SPTOBID | STRFIDINGCMPID | IQCAT | IQPARENT | IQLEVEL | IQFUNCT | IQTARG | IQMIN | IQMAX | IQUNIT |
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| 1 | IQ | TOB07 | CIG01A | Tobacco Filler | TOBACCO INGREDIENT |
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| 672.5 | 661.3 | 683.7 | mg/cigarette | | 2 | IQ | TOB07 | CIG01A | Burley Tobacco | TOBACCO INGREDIENT | Tobacco Filler | 2 |
| 19 | 17 | 21 | mg/cigarette | | 3 | IQ | TOB07 | CIG01A | Bright Tobacco | TOBACCO INGREDIENT | Tobacco Filler | 2 |
| 300 | 295 | 305 | mg/cigarette | | 4 | IQ | TOB07 | CIG01A | Oriental Tobacco | TOBACCO INGREDIENT | Tobacco Filler | 2 |
| 115 | 113 | 117 | mg/cigarette | | 5 | IQ | TOB07 | CIG01A | Reconstituted Tobacco | TOBACCO INGREDIENT | Tobacco Filler | 2 |
| 231 | 229 | 233 | mg/cigarette | | 6 | IQ | TOB07 | CIG01A | Burley Tobacco 2 | TOBACCO INGREDIENT | Reconstituted Tobacco | 3 |
| 19 | 18 | 20 | mg/cigarette | | 7 | IQ | TOB07 | CIG01A | Bright Tobacco | TOBACCO INGREDIENT | Reconstituted Tobacco | 3 |
| 103 | 101 | 105 | mg/cigarette | | 8 | IQ | TOB07 | CIG01A | Oriental Tobacco | TOBACCO INGREDIENT | Reconstituted Tobacco | 3 |
| 65 | 63 | 67 | mg/cigarette | | 9 | IQ | TOB07 | CIG01A | Methylcellulose | NON-TOBACCO INGREDIENT | Reconstituted Tobacco | 3 | Binder | 20 | 19 | 21 | mg/cigarette | | 10 | IQ | TOB07 | CIG01A | 1,3-Butanediol | NON-TOBACCO INGREDIENT | Reconstituted Tobacco | 3 | Humectant | 24 | 23 | 25 | mg/cigarette | | 11 | IQ | TOB07 | CIG01A | Cocoa Extract | NON-TOBACCO INGREDIENT | Tobacco Filler | 2 | Flavor | 7 | 6.75 | 7.25 | mg/cigarette | | 12 | IQ | TOB07 | CIG01A | Butyric Acid | NON-TOBACCO INGREDIENT | Tobacco Filler | 2 | Flavor | 0.5 | 0.55 | 0.45 | mg/cigarette | | 13 | IQ | TOB07 | CIG01A | Cellulose Filter A | NON-TOBACCO INGREDIENT |
| 1 | Filter | 164 | 163 | 165 | mg/cigarette | | 14 | IQ | TOB07 | CIG01A | Cellulose Acetate | NON-TOBACCO INGREDIENT | Cellulose Filter A | 2 | Filtration | 155 | 154 | 156 | mg/cigarette | | 15 | IQ | TOB07 | CIG01A | Triacetin | NON-TOBACCO INGREDIENT | Cellulose Filter A | 2 | Plasticizer | 9 | 8 | 10 | mg/cigarette | | 16 | IQ | TOB07 | CIG01A | FSC Paper B | NON-TOBACCO INGREDIENT |
| 1 | Cigarette Paper (Wrapper) | 50 | 49 | 51 | mg/cigarette | | 17 | IQ | TOB07 | CIG01A | Cellulose Pulp | NON-TOBACCO INGREDIENT | FSC Paper B | 2 | Fiber | 30 | 29 | 31 | mg/cigarette | | 18 | IQ | TOB07 | CIG01A | Calcium Carbonate | NON-TOBACCO INGREDIENT | FSC Paper B | 2 | Filler | 15 | 14 | 16 | mg/cigarette | | 19 | IQ | TOB07 | CIG01A | Sodium Alginate | NON-TOBACCO INGREDIENT | FSC Paper B | 2 | Reduced ignition propensity | 2 | 1.75 | 2.25 | mg/cigarette | | 20 | IQ | TOB07 | CIG01A | Trisodium Citrate | NON-TOBACCO INGREDIENT | FSC Paper B | 2 | Combustion Modifier | 0.5 | 0.45 | 0.55 | mg/cigarette | | 21 | IQ | TOB07 | CIG01A | Cationic Starch | NON-TOBACCO INGREDIENT | FSC Paper B | 2 | Binder | 0.5 | 0.45 | 0.55 | mg/cigarette | | 22 | IQ | TOB07 | CIG01A | Seam Adhesive | NON-TOBACCO INGREDIENT | FSC Paper B | 2 | Adhesive | 2 | 1.75 | 2.25 | mg/cigarette |
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