Table 5. Amine (prefix only) N-(3-methy1buty1)-1,5-dimethylhexy] N-(3-methy] buty1)-2-ethylhexy] N-hepty1-N-(3-methy1buty] )-2-ethylhexy] N-penty1-N-(3,3-dimethy]lbuty1) - 3,5,5-trimethylhexy] Conditions DELTA Tallies (ppm) used? 1.5 no 1.5 no 1.5 yes 2.25° yes Results obtained by AMINE for the four "unknown" amines. Solutions (prefix only) N-(3-methylbuty1)-1,5-dimethylhexy] N-(3-methy]buty1])-2-ethyThexy] N-hepty1]-N-(3-methylbuty1)-2-ethyThexy] N-penty1]-N-(3-methy]buty1 )-2-ethylhexy] 2-ethyl-1,5,5,7,7-pentamethy1]-1- (2,2-dimethy]propy] )octy] N-penty1-N-(3,3-dimethy] buty1) - 3,5,5-trimethy] hexyl] N,N-di (tert-butyl )-2-methy]-2- (2,2-dimethy] propyl )hexy] N-tert-butyl-1,1,3-trimethy1-3- (2,2-dimethylpropy] )octy] 2-ethyl-1,1,5,7,7-pentamethy1]-5- (2,2-dimethyl propyl] )octy] a) With DELTA = 1.5 ppm, no structrures were found for this amine. Rank 1 (tied) “1 (tied) 2 (tied) 2 (tied) 2 (tied) 2 (tied) Figure l. Figure 2. Figure 3. Figure 4. Figure captions A schematic illustration of R, the alkyl chain-end to be tested by the PRUNER. The group X contains the Nitrogen atom, along with any carbons and hydrogens not included in R. The hierarchy of pre-tests used by the PRUNER. A "?" attached to an atom indicates that the neighbors of that atom are unknown at testing time. A case in which r and o do not match when n = Ne» even though the simple test is passed. Sample output from program AMINE (PDP-10 version). The solution structure is written in polish-prefix notation as described in Reference 3a. Figure | C-?-—~ = N-?-— Figure Z . [-—~ CH,-C-? ——~ Class 1 tests CH,-N-? ——~ Class 2, 3 and 4 tests C-? | p——— CH wee Class 5 tests C-? p———— CH —p— cK ——~~ Class 6 tests C-? C-? NH-C p— CHC —~ Class 7 tests C-? C n (1) Program Director Feigenbaum, Edward A CSCo-Principal Invest. 10 Buchanan, Bruce G. 1,2)¢s |Associate Invest. 50 Duffield, Alan Ch Associate Invest. 25 Smith, Dennis Ch Research Associate 100 Hammerum, Steen Ch Research Associate 50 Sridharan, Natesa CS Research Associate 50 PART A Reiss, Steve CS (Computer Programmer 50 Hjelmeland, Larry CS Research Assistant 100 7 Masinter, Larry CS Research Assistant 50 Stefik, Mark CS Research Assistant 50 Wharton, Kathy Admin. Assistant 25 Larson, Dee Secretary 25 (1) See Budget Notes (2) In first year only 9/1]/74-4/30/75 covered TOTAL ————_____-—-»- | 5 80 ,624 2. CONSULTANT COSTS (Include Fees and Travel) s 1,100 3. EQUIPMENT (Itemize) $s 4. SUPPLIES Office supplies 350 s STAFF s TRAVEL @, DOMESTIC 1 400 (See Inatnictions) b. FOREIGN $ 6. PATIENT COSTS (Separate Inpatient and Outpatient) s - 7. ALTERATIONS AND RENOVATIONS s - 8. OTHER EXPENSES (itemize per inattuctions) Telephone, postage, etc. $ 200 Publication costs 700 Computer terminal rent 3,200 Computer usage costs 36 ,000 + 40,100 9. Subtetal — Items 1 thry § — ———ge fg 123,574 10. TRAINEE EXPENSES (See Instructions) PREDOC TORAL No. Proposed $ FOR a. STIPENDS | POSTDOCTORAL No. Proposed 5 OTHER (Specify) No. Proposed s TRAINING DEPENDENCY ALLOWANCE $s GRANTS TOTAL §TIPEND EXPENSES —— a» | 5 b. TUITION ANO FEES $ ONLY c, TRAINEE TRAVEL (Describe) s 4, Subtotal — Trainee Expenses s (12. TOTAL DIRECT COST (Add Subtotals, Items 9 and 11, and enter on Page 1) $ 123 5574 Substitute Budget Page 572 Pr vF GPO 930-793 SECTION 11 — PRIVILEGED COMMUNICATION Part A BUDGET ESTIMATES FOR ALL YEARS OF SUPPORT REQUESTED FROM PUBLIC HEALTH SERVICE DIRECT COSTS ONLY (Omit Cents) 1ST PERIOD ADDITIONAL YEARS SUPPORT REQUESTED /This application only) DESCRIPTION ISAME AS DE. TAILED BUDGET) ] 2NO0 YEAR 3RO YEAR 4TH YEAR STH YEAR 6TH YEAR 7TH YEAR PERSONNEL COSTS 80,624 95,175 100,320 CONSULTANT COSTS (Include fees, travel, etc.) 1,100 1,200 1,300 EQUIPMENT SUPPLIES 350 400 450 DOMESTIC TRAVEL +2800 =2£00 00 FOREIGN PATIENT COSTS - - - ALTERATIONS AND RENOVATIONS OTHER EXPENSES 40,100 45,450 50,000 TOTAL DIRECT COSTS 123,574 [143,825 |153,870 TOTAL FOR ENTIRE PROPOSED PROJECT PERIOD (Enter on Page 1, Item 4) ————_—» $ 421.269 ’ REMARKS: Justify alt costs for the first year for which the need may not be obvious, For future years, justify equipment costs, as well as any significant increases in any other category. If a recurring annual increase in personnel costs is requested, give percentage. (Use continuation page if needed.) See attached budget justification notes. PHS-398 fojer Ras 2.70 BUDGET - PARTS B (i) AND B (ii) MASS SPECTROMETER DATA SYSTEM DEVELOPMENT AND ANALYSIS OF THE CHEMICAL CONSTITUENTS OF BODY FLUIDS ry ~~ oR PRIVILEGED COMMUNICATION SECTION II SUBSTITUTE THIS PAGE FOR DETAILED BUDGET PAGE PERIOD COVERED GRANT NUMBER SUBSTITUTE ae SURSUS HR H DETAILED B - UDGET FOR FIRST 12-MONTH PERIOD 5/1/74 4/30/75 1, PERSONNEL (List all personnel engajted on project) Eeron: AMOUNT REQUESTED (Omit cents) NAME (Last, first, initial) TITLE OF POSITION %/HRS. | TOTAL Lederberg » Joshua G | Principal Investigator or 3 Program Director Duffield, Alan Ch lAssociate Investig. 25 Pereira, Wilfred Ch |Research Associate 50 Summons, Roger Ch |Post Doctoral Fellow 100 Rindfleisch, Thomas E |Research Associate 100 Veizades, Nicholas E jResearch Engineer 100 PART B (i) and (ii) Reynolds, Walter E |Research Engineer 20 Tucker, Robert CS |Computer Programmer 75 Wegmann, Annemarie Ch |Sr.Research Assist. 100 Steed, Ernest E |Research Engineer 10 Pearson, Dale E jElectronics Tech. 60 DeFrancisci, Richard Machinist 20 Allan, Muriel Secretary 25 TOTAL ——____» | $ 139, 830 2. CONSULTANT COSTS (Include Fees and Travel} 3. EQUIPMENT (Itemize) Computer Terminal * $ 3,000 4 SUPPLIES Of fice supplies-$750; chemicals,glassware,and lab apparatus-$2,500; GC supplies (gases,phases,columns,etc.)-$950; dry ice and liq.nitrogen- $1,500; electronic supplies and parts-$3,500;GC/MS data recording media- $2,100; mini-computer supplies-$1,500; mass spec. repairs and parts-$7,60Q*% 20,400 aoe o, voMesticl east coast ($500); 1 mid-west ($350); 1 west coag #150) s 1,000 (See Instructions) b. FOREIGN $ ” 6. PATIENT COSTS (Separate Inpatient and Outpatient) $s - 7, ALTERATIONS AND RENOVATIONS 7 Mass spectrometer laboratory air conditioning and power modifications s 2,500 8. OTHER EXPENSES (Itemize per instructions) Telephone and data communications - $1,200; Publication costs - $1,000; Mini-~computer maintenance contract - $4,600; computing costs from ACME follow-on - $64,000 $ 70,800 9. Subtotal — Items | thry 8 ene gs 237,530 10. TRAINEE EXPENSES (See instructions) PREDOCTORAL No. Proposed $ FOR a. STIPENDS | POSTDOCTORAL No. Proposed $ OTHER (Specify) No. Proposed $ TRAINING DEPENDENCY ALLOWANCE $ GRANTS TOTAL STIPEND EXPENSES ————____» |5 b. TUITION AND FEES s ONLY c. TRAINEE TRAVEL (Describe) $ WwW. Subtotal ~ Trainee Expenses a rnnmention | 12, TOTAL DIRECT COST (Aud Subtotals, Items 9 and 11, and enter on Page 1) ——_—-~-____—_—» | $ 237.530 9 Substitute Budget Page 5-72 Pe. am GPO 930.791 For Forms PHS 398 and PHS 2499-1 SECTION 11 — PRIVILEGED COMMUNICATION Part B i) and ii) BUDGET ESTIMATES FOR ALL YEARS OF SUPPORT REQUESTED FROM PUBLIC HEALTH SERVICE DIRECT COSTS ONLY (Omit Cents) DESCRIPTION ast rerioo | ADDITIONAL YEARS SUPPORT REQUESTED (This application only) TAILED BUOGET) 2ND YEAR 3RD YEAR 4TH YEAR 5TH YEAR 6TH YEAR 7TH YEAR PERS cosrs tt 139,830] 148,066] 156,775 CONSULTANT COSTS _ _ - (Include fees, travel, etc.) EQUIPMENT 3,000 3,000 3,000 SUPPLIES 20,400] 21,050] 22,250 DOMESTIC 1,000 1,000 1,000 TRAVEL FOREIGN PATIENT COSTS _ _ _ ALTERATIONS AND RENOVATIONS 2,500 ~ - OTHER EXPENSES 70,800 75,000 79,500 TOTAL DIRECT COSTS 237,530 | 248,116} 262,525 , TOTAL FOR ENTIRE PROPOSED PROJECT PERIOD (Enter on Page 1, Item 4) ———-» | $ 748,171 page if needed.} See attached budget justification. REMARKS: Justify all costs for the first year for which the need may not be obvious. For future years, justify equipment costs, as well as any significant increases in any other category. If a recurring annual increase in personnel costs is requested, give percentage, (Use continuation PHS-398 BUDGET ~ PART C EXTENSION OF THE THEORY OF MASS SPECTROMETRY BY COMPUTER oe PRIVILEGED COMMUNICATION SECTION Il SUBSTITUTE THIS PAGE FOR DETAILED BUDGET PAGE PERIOD COVERED GRANT NUMBER For Foems PHS 398 and PHS 2499-1 SUBSTITUTE FROM THROUGH DETAILED BUDGET FOR FIRST 12-MONTH PERIOD 5/1/74 4/30/75 1, PERSONNEL (List all personnel engaged on project) eon AMOUNT REQUESTED (Omit cents) NAME (Last, first, initial) TITLE OF POSITION ”/HRS. | TOTAL Lederberg, Joshua G | Principat Investigator or 3 1 rogram Directo Feigenbaum, Edward a.‘ )¢s o-Principal Invest, 10 Buchanan, Bruce c.(1,2) os Associate Invest. 50 Sridharan, Natesa CS|Research Associate 50 Hammerum, Steen Ch/Research Associate 50 White, William CS|Computer Programmer 50 PART C Farrell, Carl CS|Research Assistant 100 Wharton, Kathy Admin. Assistant 25 Larson, Dee Secretary 25 (1) See budget notes (2) Covers 9/1/74-4/30/75 in year 1 TOTAL — ne | 5 48,521 2. CONSUL TANT COSTS (Include Fees and Travel) $ - 3. EQUIPMENT (itemize) $ - 4. SUPPLIES ‘ 5 350 STAFF a, DOMESTIC $ 1,400 TRAVEL (See Instructions) b. FOREIGN $ 6. PATIENT COSTS (Separate Inpatient and Outpatient) $ - 7. ALTERATIONS AND RENOVATIONS . $ - 8. OTHER EXPENSES (Itemize per instructions) Telephone, postage, etc. $ 200 Publication costs 700 Computer terminal rental 1,600 Computer usage 21,000 $§ 23,500 9. Subtotal — Items TP thry 8 9 =e S| gs 73 3/71 10. TRAINEE EXPENSES (See Instructions) PREDOCTORAL No. Proposed $ FOR a. STIPENDS | POSTDOCTORAL No. Proposed $ OTHER (Specify) No. Proposed $ TRAINING DEPENDENCY ALLOWANCE $s GRANTS TOTAL STIPEND EXPENSES wenn | § b. TUITION AND FEES s ONLY ¢., TRAINEE TRAVEL (Describe) $ WW Subtotal ~ Trainee Expenses nena |S 12. TOTAL DIRECT COST (Add Subtotals, Items 9 and 11, and enter on Page ) ne |S 73.771 2 Substitute Budget Poge 5-72 Anes GPO 930.791 SECTION I) — PRIVILEGED COMMUNICATION Part C BUDGET ESTIMATES FOR ALL YEARS OF SUPPORT REQUESTED FROM PUBLIC HEALTH SERVICE DIRECT COSTS ONLY (Omit Cents) STP Thi icati DESCRIPTION astgeron [ADDITIONAL YEARS SUPPORT REQUESTED (This application only) TAILED BUDGEV 2N0 YEAR 3RD YEAR 4TH YEAR 5TH YEAR 6TH YEAR 7TH YEAR PERSONNEL COSTS 48,521 61,194 | 64,655 CONSULTANT COSTS (Include fees, travel, etc.) ~ ~ ~ EQUIPMENT 7 - - SUPPLIES 350 400 450 DOMESTIC L 1 TRAVEL ,400 ,600 1,800 FOREIGN PATIENT COSTS ~ - - ALTERATIONS AND _ _ _ RENOVATIONS OTHER EXPENSES 23,500 27,650 30,450 TOTAL DIRECT COSTS 73,771 90,844 | 97,355 TOTAL FOR ENTIRE PROPOSED PROJECT PERIOD (Enter on Page 1, Item 4) ——» | $ 961,970 REMARKS: Justify all costs for the first year for which the need may not be obvious. For future years, justify equipment costs, as well as any Significant increases in any other category. If a recurring annual increase in personnel costs is requested, give percentage, (Use continuation page if needed. } See attached budget justification notes. PHS-398 ana