"LIPID_ID"	"CLASSIFICA"	"CHEM_NA"	"COMMON_NA"	"SYMBOL"	"GROUP_NA"	"MOL_FORMULA"	"FORMULA_C"	"FORMULA_H"	"FORMULA_O"	"FORMULA_N"	"FORMULA_P"	"FORMULA_S"	"MOL_WT"	"STR_1"	"STR_2"	"STR_3"	"STR_4"	"STR_5"	"STR_6"	"STR_7"	"STR_8"	"STR_9"	"STR_10"	"STR_11"	"REF_STR"	"MELT_PT"	"BOIL_PT"	"OPT_ROT"	"REFRA_IND"	"DENSITY"	"SOLUBILITY"	"REF_PRP"	"UV_SPEC"	"IR_SPEC"	"NMR_SPEC"	"MS_SPEC"	"NOTE_SPEC"	"REF_SPC"	"SOURCE"	"REF_SOU"	"BIOL_ACTIV"	"REF_BA"	"NOTE"	"REF_NOTE"
"CA0001"	0.00	"HEXANEDIOIC ACID/TETRAMETHYLENE-1,4-DICARBOXYLIC ACID"	"ADIPIC ACID"			"C6H10O4"	6.00	10.00	4.00	0.00	0.00	0.00	146.00	"                                                          (REF:001/002)"		"  HOOC-(CH2)4-COOH"									"001/002/"	"153.0ﾟC (001/002)"	"205.5ﾟC/10mmHg, 216.5ﾟC/15mmHg, 244.5ﾟC/50mmHg,265ﾟC/100mmHg (001/002)244.5ﾟC/50mmHg,265ﾟC/100mmHg (001/002)"				"1.5% IN 15ﾟC WATER, 3.392% IN 40ﾟC WATER (002/006),  エタノールに易溶 (001), 0.605g IN 100g エーテル AT 19ﾟC"	"001/002/006/"		"OH,CH GROUP(020):2500-3100cm-1, C=O GROUP(020):1700cm-1, OH,CH GROUP(012):2980cm-1, C=O GROUP(012):1703cm-1,β(COH)+Q(C-O)(012): 1425cm-1"	"1H (021) 1.52ppm: -CH2(CH2)2-CH2-(4H), 2.21ppm: -CH2(CH2)2-CH2-(4H),11.32ppm: -COOH (2H)"	"M/E=146[M],129[M-OH],128[M-H2O],100[M-H2O-CO],87[M-CH2COOH],73[M-CH2CH2COOH  ],69[M-CH2COOH-H2O]≡[C4H5O],60[M-CHCH2CH2COOH]≡[CH2COOH2](010)"		"020/012/021/010/"	"ビート ジュース中に存在。(001)シクロヘキサノール  又は  シクロヘキサノンの酸化開裂で合成。(001)"	"001/"				
"CA0002"	0.00	"HEPTANEDIOIC ACID/PENTAMETHYLENE-1,5-DICARBOXYLIC ACID"	"PIMELIC ACID"			"C7H12O4"	7.00	12.00	4.00	0.00	0.00	0.00	160.00	"                                                             (REF:001/002)"		"  HOOC-(CH2)5-COOH"									"001/002/"	"105.5-105.7ﾟC(002/001)"	"251.5ﾟC/50mmHg, 272ﾟC/100mmHg (001/002)"				"5.0% IN 20ﾟC WATER (002)"	"002/001/"		"OH,CH GROUP(022): 2400-3300cm-1, C=O GROUP(020): 1690cm-1,OH,CH GROUP(012): 2950cm-1, C=O GROUP(012): 1700cm-1,β(COH)+Q(C-O)(012):1440cm-1"	"1H (023) 1.15-1.99ppm: -CH2(CH2)3-CH2-(6H), 2.41ppm: -CH2(CH2)3CH2-(4H)                                                                               13C NMR(014), AT 292K, 37.9ppm: HOOC-CH2〜(2C), 27.9ppm: HOOC-CH2-CH2〜(2C)   33.7ppm:HOOC-CH2CH2-CH2〜("	"M/E=160[M],142[M-H2O],124[M-2H2O],114[M-H2O-CO],101[M-CH2COOH],83[M-CH2COOH-H2O]≡[C5H7O],73[M-CH2CH2CH2COOH](010)"		"020/012/021/010/"	"リシノール酸の酸化物質の一つ。(001)"					
"CA0003"	0.00	"OCTANEDIOIC ACID/HEXAMETHYLENE-1,6-DICARBOXYLIC ACID"	"SUBERIC ACID"			"C8H14O4"	8.00	14.00	4.00	0.00	0.00	0.00	174.00	"                                                         (REF:001/002)"		"  HOOC-(CH2)6-COOH"									"001/002/"	"142ﾟC,145ﾟC(002/001)"	"219.5ﾟC/10mmHg, 230ﾟC/15mmHg,  258.5ﾟC/50mmHg, 279ﾟC/100mmHg (001)"				"0.16% IN 20ﾟC WATER (002)"	"002/001/"		"OH,CH GROUP:2955cm-1, C=O GROUP:1703cm-1, β(COH)+Q(C-O):1423cm-1 (012)"		"M/E=174[M],138[M-2H2O],110[M-2H2O-CO],98[C5H10CO],73[CH2=CHCOOH2],69[C5H9], 60[CH2COOH2],55[C4H7],41[C3H5]･･･100%(010)"		"012/010/"	"硝酸とコルクとの反応物の一つ。(001)  ヒマシ油の硝酸酸化で生成（アゼライン酸と共に）。(001)"	"001/"				
"CA0004"	0.00	"NONANEDIOIC ACID/HEPTAMETHYLENE-1,7-DICARBOXYLIC ACID"	"AZELAIC ACID"			"C9H16O4"	9.00	16.00	4.00	0.00	0.00	0.00	188.00	"                                                         (REF:001/002)"		"  HOOC-(CH2)7-COOH"									"001/002/"	"107ﾟC, 108ﾟC(001/002)"	"225.5ﾟC/10mmHg, 237ﾟC/15mmHg, 265ﾟC/50mmHg, 286.5ﾟC/100mmHg (001)"				"0.24% IN 20ﾟC WATER (002)"	"001/002/"		"OH,CH GROUP:2700-3400cm-1, C=O GROUP:1700cm-1(024),OH,CH GROUP:2950cm-1, C=O GROUP:1700cm-1,β(COH)+Q(C-O):1440cm-1(012)"	"1HNMR(025) 1.09-1.81ppm:-CH2(CH2)5CH2-(10H),2.20ppm:-CH2(CH2)5CH2-(4H),5.55ppm:-COOH(2H)                                                        13CNMR(014) AT 292K,25ppm:HOOC-CH2CH2CH2-(2C),31ppm:HOOC-CH2CH2CH2CH2-(1C),33-4ppm:HOOC-CH2CH2-(2C),35pp"	"M/E=188[M],152[M-2H2O],124[M-2H2O-CO],98[C5H10CO],69[C5H9],60[CH2COOH2], 41[C3H5],55[C4H7]･･･100%(010)"		"024/012/025/014/010/"	"亜麻仁油中に存在しているのが発見されたが、カビからの加水分解物と同定された.(001)ケラチンの酸化生成物の一種。(001)"	"001/"				
"CA0005"	0.00	"DECANEDIOIC ACID/OCTAMETHYLENE-1,8-DICARBOXYLIC ACID"	"SEBACIC ACID"			"C10H18O4"	10.00	18.00	4.00	0.00	0.00	0.00	202.00	"                                                         (REF:001/002)"		"  HOOC-(CH2)8-COOH"									"001/002/"	"133ﾟC, 134ﾟC(001/002)"	"232ﾟC/10mmHg, 243.5ﾟC/15mmHg, 273ﾟC/50mmHg, 294.5ﾟC/100mmHg (001)"				"0.1% IN 20ﾟC WATER (002)"	"001/002/"		"CH,OH GROUP:2700-3400cm-1, C=O GROUP:1710cm-1(026),OH,CH GROUP:2940cm-1, C=O GROUP:1705cm-1, β(COH)+Q(C-O):1428cm-1(012)"		"M/E=202[M], 138[M-2H2O-CO], 98[C5H10CO], 69[C5H9], 60[CH2COOH2], 55[C4H7], 41[C3H5]･･･100%(010)"		"026/012/010/"	"ヒマシ油やリシノール酸をNaOH存在下に蒸留して生成。(001)"					
"CA0006"	0.00	"UNDECANEDIOIC ACID/NONAMETHYLENE-1,9-DICARBOXYLIC ACID"				"C11H20O4"	11.00	20.00	4.00	0.00	0.00	0.00	216.00	"                                                          (REF:002)"		"  HOOC-(CH2)9-COOH"									"002/"	"110ﾟC (002)"						"002/"		"OH,CH GROUP:2800-3200cm-1, C=O GROUP:1715cm-1(027)"	"1H (028) 1.28ppm:-CH2(CH2)7CH2-(14H),2.20ppm:-CH2(CH2)7CH2-(4H),Ca.8.37ppm: -COOH(2H)"	"M/E=216[M], 98[C5H10CO]･･･100%, 84, 73[CH2CH2COOH], 69[C5H9], 60[CH2COOH2], 55[C4H7], 41[C3H5](010)"		"027/028/010/"						
"CA0007"	0.00	"DODECANEDIOIC ACID/DECAMETHYLENE-1,10-DICARBOXYLIC ACID"				"C12H22O4"	12.00	22.00	4.00	0.00	0.00	0.00	230.00	"                                                             (REF:002)"		"  HOOC-(CH2)10-COOH"									"002/"	"129ﾟC, 126ﾟC (001/002)"						"001/002/"		"CH GROUP:3010cm-1, OH GROUP:2700-3200cm-1(029), C=O GROUP:1700cm-1(029),OH,CH GROUP:2930cm-1, C=O GROUP:1693cm-1, β(COH)+Q(C-O):1430 cm-1(012)"	"1H (030) 1.38ppm:CH2CH2(CH2)6CH2CH2(12H), Ca.1.72ppm:CH2CH2(CH2)6CH2CH2(4H) 2.51ppm:-CH2CH2(CH2)6CH2CH2-(4H)                                        COOH IS UNOBSERVED"""	"M/E=230[M], 186[M-CO2], 98[C5H10CO]･･･100%, 69[C5H9], 60[CH2COOH2], 73[CH2CH2COOH], 55[C4H7], 41[C3H5](010)"		"012/029/030/010/"						
"CA0008"	0.00	"TRIDECANEDIOIC ACID/UNDECAMETHYLENE-1,11-DICARBOXYLIC ACID"	"BRASSYLIC ACID"			"C13H24O4"	13.00	24.00	4.00	0.00	0.00	0.00	244.00	"                                                           (REF:001/002)"		"  HOOC-(CH2)11-COOH"									"001/002/"	"113.5ﾟC, 112ﾟC (001/002)"						"001/002/"		"CH GROUP:2900cm-1, OH GROUP:2700-3200cm-1, C=O GROUP:1710cm-1(031)"	"1H (032) 1.20-2.00ppm:-CH2(CH2)9CH2- (18H), 2.53ppm:-CH2(CH2)9-CH2- (4H) COOH IS UNOBSERVED"	"M/E=244[M], 200[M-CO2], 98[C5H10CO]･･･100%, 84, 69[C5H9], 60[CH2COOH2],73[CH2CH2COOH], 55[C4H7], 41[C3H5](010)"		"031/032/010/"						
"CA0009"	0.00	"CIS-1,2-ETHYLENE DICARBOXYLIC ACID/(Z)-BUTENEDIOIC ACID"	"MALEIC ACID"			"C4H4O4"	4.00	4.00	4.00	0.00	0.00	0.00	116.00	"                                                           (REF:007)"		"  HOOC-C=C-COOH"	"       | |"	"       H H"		"       CIS"					"007/"	"133-134ﾟC (007)"				"1.59"	"112.5g IN 100g 水 AT 40ﾟC(006),8.19g IN 100gエーテル AT 25ﾟC,69.9g IN 100g 95%エタノール AT 29.7ﾟC(006),35.77g IN 100gアセトン AT 29.7ﾟC(006)"	"007/006/"			"1H (003)  6.27ppm:-CH=CH-(2H), 12.19ppm:-COOH(2H),13C(017) 173.6ppm:-COOH(INTER),170.0ppm:-COOH(INTRA) 141.2ppm:CH=CH, 134.3ppm:CH=CH"	"CH3OH CI MASS SPECTRA(004): 117[MH]+(100%),131[MH+14]+(3%),145[MH+28]+(3%),149[MH+32]+(28%),113[MH-4]+(13%),99[MH-18]+(5%) TMS DERIVATIVES,EI MASS SPECTRA(005): M/Z=245[M-CH3](21%), 147(100%),73[Si(CH3)3] (89%)"		"003/017/004/005/"						
"CA0010"	0.00	"TRANS-1,2-ETHYLENE DICARBOXYLIC ACID/(E)-BUTENEDIOIC ACID"	"FUMARIC ACID"			"C4H4O4"	4.00	4.00	4.00	0.00	0.00	0.00	116.00	"         H                                                  (REF:006)"	"         |"	"  HOOC-C=C-COOH"	"       |"	"       H"	"      TRANS"							"286ﾟC (002)"				"1.625"	"1.07g IN 100g 水 AT 40ﾟC,2.4g IN 100g水 AT 60ﾟC(006), 0.72g IN100gエーテル AT 25ﾟC, 5.75g IN 100g 95%エタノール AT 29.7ﾟC(006), 1.72g IN 100gアセトン AT 29.7ﾟC(006)"	"002/006/"			"13C (017) 172.5ppm:(COOH)2(2C), 136.9ppm:-CH=CH-(2C),1H(017) 13.0ppm:(COOH)2(2H),7.0ppm:CH=CH(2H)"	"CH3OH CI MASS SPECTRA(004):117[MH]+(100%),131[MH+14]+(20%),149[MH+32]+(22%),113[MH-4]+(3%),99[MH-18]+(32%)TMS DERIVATIVES,EI MASS SPECTRA(005):M/Z=245[M-CH3](100%), 147(31%), 73[Si(CH3)3] (74%)"		"017/004/005/"						
"CA0011"	0.00	"N-DODECYL-N,N-DIMETHYLBENZENEMETHANAMINIUM"	"BENZYLDIMETHYLDODECYLAMMONIUM, BENZODODECINIUM, AJATIN, STERINOL"			"C21H38N"	21.00	38.00	0.00	1.00	0.00	0.00	304.00	"                                                  (REF:109/110)"	"                  CH3"	"                  |+"	"      CH3-(CH2)11-N-CH2-Ph"	"                  |"	"                  CH3"						"109/110/"						"水, 酸, EtOHにきわめて可溶, CCl4に不溶(110)"	"110/"									"抗感染症, 界面活性剤, 殺菌剤, 防腐剤"		"Phase-transfer catalyst その他の文献: 061/062/063/064/065/066/067/068/069/071"	"061/062/063/064/065/066/067/068/069/071/"
"CA0012"	0.00	"N-DODECYL-N,N-DIMETHYLBENZENEMETHANAMINIUM BROMIDE"				"C21H38N"	21.00	38.00	0.00	1.00	0.00	0.00	304.00	"                                                  (REF:109/110)"	"    �ｮ             CH3      �ｲ"	"    �､             |+       �､  -"	"    �､ CH3-(CH2)11-N-CH2-Ph �､Br"	"    �､             |        �､"	"    �ｶ             CH3      �ｺ"						"109/110/"	"47ﾟC (109/110)"					"H2O (110)"	"109/110/"					"吸光光度定量 10% 水溶液を使って Be(λMAX 610nm ε10,500) (060)"	"060/"					"結晶性V(ν)(C6H6/OCTANOL,PH3.8),[Fe(CN)6]4-で抽出　Prussian blueで抽出 その他の文献 : 061/062/063/064/065/066/067/068/069/070/071"	"061/062/063/064/065/066/067/068/069/070/071/"
"CA0013"	0.00	"N-DODECYL-N,N-DIMETHYLBENZENEMETHANAMINIUM CHLORIDE"	"BENZODODECINIUM CHLORIDE"			"C21H38N"	21.00	38.00	0.00	1.00	0.00	0.00	304.00	"                                                  (REF:109/110)"	"    �ｮ             CH3      �ｲ"	"    �､             |+       �､  -"	"    �､ CH3-(CH2)11-N-CH2-Ph �､Cl"	"    �､             |        �､"	"    �ｶ             CH3      �ｺ"						"109/110/"	"31-32ﾟC, 42.5-43ﾟC(3/2 HYDORATE)(060/109/110)"						"060/109/110/"											"その他の文献: 061/062/063/064/065/066/067/068/069/070/071"	"061/062/063/064/065/066/067/068/069/070/071/"
"CA0014"	0.00	"N,N-DIMETHYL-N-TETRADECYLBENZENEMETHANAMINIUM"	"BENZYLDIMETHYL(TETRADECYL)AMMONIUM,MIRISTALKONIUM"			"C23H42N"	23.00	42.00	0.00	1.00	0.00	0.00	332.00	"                                                  (REF:109/110)"	"                  CH3"	"                  |+"	"      CH3-(CH2)13-N-CH2-Ph"	"                  |"	"                  CH3"						"109/110/"																"防腐剤"		"Surface-active agent その他の文献 : 071/072/073/074/075"	"071/072/073/074/075/"
"CA0015"	0.00	"N,N-DIMETHYL-N-TETRADECYLBENZENEMETHANAMINIUM CHLORIDE"	"MIRISTAKONIUM CHLORIDE"			"C23H42N"	23.00	42.00	0.00	1.00	0.00	0.00	332.00	"                                                  (REF:109/110)"	"    �ｮ             CH3      �ｲ"	"    �､             |+       �､  -"	"    �､ CH3-(CH2)13-N-CH2-Ph �､Cl"	"    �､             |        �､"	"    �ｶ             CH3      �ｺ"						"109/110/"	"60-61ﾟC (110)"						"110/"											"その他の文献: 071/072/073/074/075/"	"071/072/073/074/075/"
"CA0016"	0.00	"N,N-DIMETHYL-N-HEXADECYLBENZENEMETHANAMINIUM"	"BENZYLHEXADECYLDIMETHYLAMMONIUM"			"C25H46N"	25.00	46.00	0.00	1.00	0.00	0.00	360.00	"                                                  (REF:109/110)"	"             CH3"	"             |+"	"      Ph-CH2-N-(CH2)15-CH3"	"             |"	"             CH3"						"109/110/"																"防腐剤"		"Surface-active agent　EtOAc/石油エーテル中から結晶化　その他の文献 : 071/076/077/078/079/080/  その他の慣用名:CETALKONIUM, ACINOL, ARMIL, BAKTONIUM, BANCOL, BICETONIUM, CEETOLAN, CETOL, SPILAN, TETRASEPTAN, ZETTYN"	"071/076/077/078/079/080/"
"CA0017"	0.00	"N,N-DIMETHYL-N-HEXADECYLBENZENEMETHANAMINIUM CHLORIDE"				"C25H46N"	25.00	46.00	0.00	1.00	0.00	0.00	360.00	"                                                  (REF:109/110)"	"    �ｮ        CH3           �ｲ"	"    �､        |+            �､  -"	"    �､ Ph-CH3-N-(CH2)15-CH3 �､Cl"	"    �､        |             �､"	"    �ｶ        CH3           �ｺ"						"109/110/"	"68ﾟC(59ﾟC) (109/110)"						"109/110/"									"抗感染性, 界面活性剤"		"その他の文献 : 071/076/077/078/079/080/"	"071/076/077/078/079/080/"
"CA0018"	0.00	"1,1'-DITHIODI-3-UNDECANONE"	"BIS(3-OXOUNDECYL)DISULFIDE"			"C22H42O2S2"	22.00	42.00	2.00	0.00	0.00	2.00	402.00	"                                                  (REF:109/110)"	"             O                     O"	"             �ｾ                    �ｾ"	"  CH3-(CH2)7-C-CH2-CH2-S-S-CH2-CH2-C-(CH2)7-CH3"								"109/110/"	"67-67.5ﾟC (109/110)"						"109/110/"							"褐色植物門褐藻綱アミジグサ目のDictyoperis plagiogramma"				"結晶性　その他の文献 : 081/"	"081/"
"CA0019"	0.00	"1,1'-TETRATHIOBIS-3-UNDECANONE"	"BIS(3-OXOUNDECYL)TETRASULFIDE"			"C22H42O2S4"	22.00	42.00	2.00	0.00	0.00	4.00	466.00	"                                                  (REF:109/110)"	"             O                         O"	"             �ｾ                        �ｾ"	"  CH3-(CH2)7-C-CH2-CH2-S-S-S-S-CH2-CH2-C-(CH2)7-CH3"								"109/110/"	"32-33ﾟC (109/110)"						"109/110/"							"褐色植物門褐藻綱アミジグサ目のDictyopteris plagiogrammaとDictyopteris australis"				"その他の文献 : 082/"	"082/"
"CA0020"	0.00	"1,1'-TRITHIOBIS-3-UNDECANONE"	"BIS(3-OXOUNDECYL)TRISULFIDE"			"C22H42O2S3"	22.00	42.00	2.00	0.00	0.00	3.00	434.00	"                                                  (REF:109/110)"	"             O                       O"	"             �ｾ                      �ｾ"	"  CH3-(CH2)7-C-CH2-CH2-S-S-S-CH2-CH2-C-(CH2)7-CH3"								"109/110/"	"60.5-61.0ﾟC (109/110)"						"109/110/"							"褐色植物門褐藻綱アミジグサ目のDictyoteris plagiogrammaとDictyoteris australis"				"MeOH 中で針状結晶　その他の文献 : 082/"	"082/"