Summary for dataset Hallem.2006.EN

General Information

dataset:	Hallem.2006.EN
DOI:	10.1016/j.cell.2006.01.050
other datasets in study:
technique:	electrophysiology
data type:	spikes
controls:	purified air stream
solvents:	methanol, ethanol, acetaldehyde, acetic acid, propionic acid, butyric acid, valeric acid, hexanoic acid, isobutyric acid, isovaleric acid, pyruvic acid, lactic acid, formic acid,ammonium hydroxide, putrescine, and cadaverine were diluted in H2O all other odorants were diluted in paraffin oil
SFR reported:	yes
SFR substracted:	yes
comment:	Updated with original Data in DoOR v2.0.

Data

Name	InChIKey	CAS	Or2a	Or7a	Or9a	Or10a	Or19a	Or22a	Or23a	Or33b	Or35a	Or43a	Or43b	Or47a	Or47b	Or49b	Or59b	Or65a	Or67a	Or67c	Or82a	Or85a	Or85b	Or85f	Or88a	Or98a
sfr	SFR	SFR	8	17	3	14	29	4	9	25	17	21	2	1	47	8	2	18	11	6	16	14	13	7	26	12
ammonium hydroxide	VHUUQVKOLVNVRT-UHFFFAOYSA-N	1336-21-6	11	-4	35	24	30	17	7	16	21	20	5	17	39	12	7	21	27	16	18	8	28	24	26	36
putrescine	KIDHWZJUCRJVML-UHFFFAOYSA-N	110-60-1	14	-19	29	-12	20	16	7	21	17	4	3	-8	22	1	4	16	7	12	12	1	37	15	20	29
cadaverine	VHRGRCVQAFMJIZ-UHFFFAOYSA-N	462-94-2	9	-24	24	-3	24	17	2	18	29	11	14	-7	31	6	9	17	3	20	14	3	42	23	26	33
gamma-butyrolactone	YEJRWHAVMIAJKC-UHFFFAOYSA-N	96-48-0	17	51	56	8	22	47	13	32	98	9	21	7	56	7	18	24	136	26	9	6	60	30	28	41
gamma-hexalactone	JBFHTYHTHYHCDJ-UHFFFAOYSA-N	695-06-7	23	-22	121	32	27	144	21	50	188	29	32	25	11	7	20	36	58	46	21	11	66	61	29	36
gamma-octalactone	IPBFYZQJXZJBFQ-UHFFFAOYSA-N	104-50-7	15	-5	29	32	31	45	12	35	53	16	29	18	28	5	2	38	36	22	36	1	187	38	10	113
gamma-decalactone	IFYYFLINQYPWGJ-UHFFFAOYSA-N	706-14-9	7	5	2	12	7	20	6	42	14	3	4	-2	44	8	-2	16	18	7	8	3	26	2	33	21
delta-decalactone	GHBSPIPJMLAMEP-UHFFFAOYSA-N	705-86-2	8	2	1	3	6	15	7	40	7	5	4	1	43	4	4	13	13	6	11	15	37	6	25	20
methanoic acid	BDAGIHXWWSANSR-UHFFFAOYSA-N	64-18-6	6	3	17	45	29	37	1	19	22	12	10	0	27	11	27	20	16	18	8	5	27	14	26	16
acetic acid	QTBSBXVTEAMEQO-UHFFFAOYSA-N	64-19-7	13	6	12	32	32	36	8	23	16	21	12	3	26	13	26	22	6	12	26	15	40	18	21	31
propanoic acid	XBDQKXXYIPTUBI-UHFFFAOYSA-N	79-09-4	9	22	23	50	34	41	6	16	19	16	9	8	25	17	26	26	60	24	23	8	54	22	19	23
butyric acid	FERIUCNNQQJTOY-UHFFFAOYSA-N	107-92-6	19	59	141	47	39	121	6	14	29	14	22	18	20	16	36	27	143	22	23	4	52	28	24	23
pentanoic acid	NQPDZGIKBAWPEJ-UHFFFAOYSA-N	109-52-4	15	39	22	36	59	49	11	14	53	16	9	15	25	10	26	20	218	17	41	11	43	18	19	3
hexanoic acid	FUZZWVXGSFPDMH-UHFFFAOYSA-N	142-62-1	16	20	25	33	59	121	12	47	24	26	9	10	23	15	31	25	31	18	35	3	53	28	21	25
heptanoic acid	MNWFXJYAOYHMED-UHFFFAOYSA-N	111-14-8	11	11	6	13	10	16	7	21	28	10	22	2	40	4	18	17	12	3	11	15	50	12	23	10
octanoic acid	WWZKQHOCKIZLMA-UHFFFAOYSA-N	124-07-2	6	10	1	13	3	4	11	12	13	16	12	6	36	7	7	17	2	8	9	9	81	14	27	7
nonanoic acid	FBUKVWPVBMHYJY-UHFFFAOYSA-N	112-05-0	6	7	-3	16	10	11	5	23	9	6	8	-3	43	8	9	12	7	11	9	15	56	12	23	4
linoleic acid	OYHQOLUKZRVURQ-HZJYTTRNSA-N	60-33-3	1	153	6	18	-1	7	14	14	55	7	36	23	27	7	11	26	10	2	9	16	71	14	17	7
isobutyric acid	KQNPFQTWMSNSAP-UHFFFAOYSA-N	79-31-2	6	25	22	43	36	38	6	16	18	16	12	15	28	12	32	20	10	19	27	7	48	21	22	22
isopentanoic acid	GWYFCOCPABKNJV-UHFFFAOYSA-N	503-74-2	12	13	26	38	50	45	5	15	22	9	11	12	32	14	30	21	57	21	40	15	33	21	23	17
pyruvic acid	LCTONWCANYUPML-UHFFFAOYSA-N	127-17-3	11	72	25	37	28	39	8	13	22	20	11	17	27	9	22	26	16	17	8	5	36	17	29	13
2-ethylhexanoic acid	OBETXYAYXDNJHR-UHFFFAOYSA-N	149-57-5	11	18	7	19	7	23	7	10	9	-4	47	22	31	7	23	21	7	14	10	13	112	23	14	16
lactic acid	JVTAAEKCZFNVCJ-UHFFFAOYSA-N	50-21-5	10	15	9	48	25	40	6	22	26	22	8	15	26	12	18	20	14	27	11	3	28	17	23	25
3-methylthio-1-propanol	CZUGFKJYCPYHHV-UHFFFAOYSA-N	505-10-2	16	46	99	19	20	42	7	18	205	25	39	201	21	7	33	16	62	52	46	39	59	49	28	40
dimethyl sulfide	QMMFVYPAHWMCMS-UHFFFAOYSA-N	75-18-3	8	9	22	-2	2	17	5	19	15	2	13	-1	39	-2	66	12	12	8	18	6	45	28	20	1
terpinolene	MOYAFQVGZZPNRA-UHFFFAOYSA-N	586-62-9	2	23	2	7	80	23	6	35	24	15	14	9	41	10	14	14	45	21	11	8	49	12	32	93
alpha-pinene	GRWFGVWFFZKLTI-UHFFFAOYSA-N	80-56-8	6	37	2	12	50	37	6	38	45	27	6	19	39	4	2	19	18	20	13	13	61	25	28	42
beta-pinene	WTARULDDTDQWMU-UHFFFAOYSA-N	127-91-3	11	6	-3	2	69	14	5	35	20	31	11	-3	49	9	-2	12	5	12	14	17	47	8	28	9
3-carene	BQOFWKZOCNGFEC-UHFFFAOYSA-N	13466-78-9	7	21	4	2	152	15	4	30	13	30	9	6	45	2	-2	15	13	17	11	22	29	11	30	5
limonene	XMGQYMWWDOXHJM-UHFFFAOYSA-N	138-86-3	11	21	6	9	121	38	5	33	68	15	8	26	42	13	-3	15	13	17	18	17	60	8	28	42
alpha-humulene	FAMPSKZZVDUYOS-HRGUGZIWSA-N	6753-98-6	7	27	1	5	22	13	6	24	20	10	7	7	47	14	1	16	12	16	8	10	32	3	32	10
beta-myrcene	UAHWPYUMFXYFJY-UHFFFAOYSA-N	123-35-3	10	26	2	5	50	23	5	29	17	16	9	-1	46	5	-3	17	48	18	9	17	34	9	33	32
(-)-trans-caryophyllene	NPNUFJAVOOONJE-GFUGXAQUSA-N	87-44-5	10	21	6	8	50	12	4	39	31	-4	10	6	41	1	14	17	5	14	15	15	47	12	26	8
p-cymene	HFPZCAJZSCWRBC-UHFFFAOYSA-N	99-87-6	6	16	1	6	49	22	3	28	26	13	4	13	45	11	1	10	9	14	4	13	30	11	31	3
geranyl acetate	HIGQPQRQIQDZMP-DHZHZOJOSA-N	105-87-3	10	18	-2	6	38	5	13	25	14	11	12	-1	46	4	39	11	18	3	257	13	11	5	27	93
alpha-terpineol	WUOACPNHFRMFPN-SECBINFHSA-N	10482-56-1	10	22	10	4	114	67	5	35	35	22	8	13	39	5	-6	22	30	24	19	2	64	5	33	23
geraniol	GLZPCOQZEFWAFX-JXMROGBWSA-N	106-24-1	7	18	2	8	31	32	3	40	26	5	8	2	40	6	3	16	60	29	45	10	54	8	33	101
nerol	GLZPCOQZEFWAFX-YFHOEESVSA-N	106-25-2	16	27	5	2	51	41	6	38	27	14	11	1	40	15	-6	23	25	19	17	12	55	12	33	77
linalool	CDOSHBSSFJOMGT-UHFFFAOYSA-N	78-70-6	25	48	9	0	154	56	12	54	43	15	3	21	33	0	-6	20	95	13	28	-2	64	11	24	152
beta-citronellol	QMVPMAAFGQKVCJ-SNVBAGLBSA-N	106-22-9	11	38	9	4	47	29	3	33	28	8	9	0	41	3	0	17	17	25	21	22	54	2	33	62
linalool oxide	BRHDDEIRQPDPMG-UHFFFAOYSA-N	60047-17-8	38	3	82	15	120	29	17	42	12	39	16	26	38	-4	20	21	46	28	43	23	46	51	30	48
acetaldehyde	IKHGUXGNUITLKF-UHFFFAOYSA-N	75-07-0	29	182	98	39	48	75	20	36	21	25	10	56	9	7	64	31	23	53	26	49	50	31	31	30
propanal	NBBJYMSMWIIQGU-UHFFFAOYSA-N	123-38-6	26	1	9	13	-23	40	4	28	11	-10	17	13	7	0	14	11	16	21	1	29	65	15	17	23
butanal	ZTQSAGDEMFDKMZ-UHFFFAOYSA-N	123-72-8	51	71	9	12	-9	57	3	25	82	10	53	21	21	1	11	14	73	27	23	19	66	25	23	38
pentanal	HGBOYTHUEUWSSQ-UHFFFAOYSA-N	110-62-3	30	188	27	20	9	73	4	28	99	8	14	29	25	0	13	19	56	26	26	12	67	33	24	39
hexanal	JARKCYVAAOWBJS-UHFFFAOYSA-N	66-25-1	27	194	37	42	0	143	22	15	202	17	46	47	26	4	19	31	40	21	24	34	237	50	17	41
E2-hexenal	MBDOYVRWFFCFHM-SNAWJCMRSA-N	6728-26-3	25	238	41	6	87	53	54	17	244	62	86	38	65	14	5	16	128	53	10	25	158	42	18	40
furfural	HYBBIBNJHNGZAN-UHFFFAOYSA-N	98-01-1	19	193	96	48	7	33	27	53	193	4	36	7	28	4	52	17	193	42	55	12	74	66	14	45
2-propenal	HGINCPLSRVDWNT-UHFFFAOYSA-N	107-02-8	22	48	6	7	17	36	3	31	8	14	13	9	31	5	21	20	32	11	11	33	49	9	30	34
acetone	CSCPPACGZOOCGX-UHFFFAOYSA-N	67-64-1	9	7	32	14	4	42	2	15	25	5	13	4	41	5	132	11	38	1	12	9	41	25	17	11
2-butanone	ZWEHNKRNPOVVGH-UHFFFAOYSA-N	78-93-3	16	26	97	21	13	88	12	32	30	13	27	17	32	11	146	16	78	27	33	15	52	48	12	16
2-pentanone	XNLICIUVMPYHGG-UHFFFAOYSA-N	107-87-9	38	19	133	33	28	152	22	35	129	33	77	75	16	11	62	30	81	66	48	6	128	59	7	23
2-heptanone	CATSNJVOTSVZJV-UHFFFAOYSA-N	110-43-0	47	15	109	31	160	115	34	25	136	63	73	210	37	29	27	53	181	42	48	47	203	47	45	201
6-methyl-5-hepten-2-one	UHEPJGULSIKKTP-UHFFFAOYSA-N	110-93-0	54	-7	61	22	98	89	37	14	5	28	48	41	53	3	2	67	245	22	77	7	270	41	11	244
2,3-butanedione	QSJXEFYPDANLFS-UHFFFAOYSA-N	431-03-8	11	30	63	36	64	52	24	36	30	32	71	26	54	14	99	26	95	48	36	54	84	21	37	46
phenethyl alcohol	WRMNZCZEMHIOCP-UHFFFAOYSA-N	60-12-8	10	20	20	-2	43	50	7	54	137	49	8	10	27	53	4	12	247	73	41	17	33	15	30	4
benzyl alcohol	WVDDGKGOMKODPV-UHFFFAOYSA-N	100-51-6	4	22	33	9	20	44	4	59	61	73	2	9	26	119	16	15	127	32	39	10	32	32	27	13
methyl salicylate	OSWPMRLSEDHDFF-UHFFFAOYSA-N	119-36-8	13	11	16	272	30	2	8	18	19	41	14	-5	53	56	-2	5	46	4	11	16	5	12	19	20
methyl benzoate	QPJVMBTYPHYUOC-UHFFFAOYSA-N	93-58-3	9	-10	46	279	17	47	3	13	3	18	34	39	43	27	0	16	219	16	47	18	42	53	17	238
ethyl benzoate	MTZQAGJQAFMTAQ-UHFFFAOYSA-N	93-89-0	9	-3	32	282	23	53	3	22	1	-5	8	28	36	2	-3	12	209	2	12	0	27	28	21	285
phenethyl acetate	MDHYEMXUFSJLGV-UHFFFAOYSA-N	103-45-7	19	4	21	2	36	44	5	25	4	9	4	25	32	15	36	35	196	7	35	6	41	14	22	36
benzaldehyde	HUMNYLRZRPPJDN-UHFFFAOYSA-N	100-52-7	13	217	60	137	14	36	4	20	100	57	14	23	29	109	8	8	211	12	6	21	50	56	23	42
phenylacetaldehyde	DTUQWGWMVIHBKE-UHFFFAOYSA-N	122-78-1	18	60	17	78	-1	48	10	32	0	15	10	28	30	87	9	21	164	23	25	24	52	27	26	39
acetophenone	KWOLFJPFCHCOCG-UHFFFAOYSA-N	98-86-2	5	27	65	268	34	36	3	9	27	58	12	39	41	87	7	30	195	41	0	-11	35	91	14	41
ethyl cinnamate	KBEBGUQPQBELIU-CMDGGOBGSA-N	103-36-6	4	11	1	7	8	16	8	28	7	2	4	0	46	11	0	20	86	5	15	7	48	-4	30	19
2-methylphenol	QWVGKYWNOKOFNN-UHFFFAOYSA-N	95-48-7	-3	-10	39	-3	13	13	1	9	5	98	37	-10	20	258	-5	0	68	8	2	0	40	38	12	-9
4-ethylguaiacol	CHWNEIVBYREQRF-UHFFFAOYSA-N	2785-89-9	7	7	17	16	19	11	0	22	14	16	5	-1	42	6	8	10	15	37	9	8	52	21	25	13
eugenol	RRAFCDWBNXTKKO-UHFFFAOYSA-N	97-53-0	12	7	13	78	13	11	10	19	10	7	12	1	43	2	23	11	18	3	15	10	47	19	23	62
methanol	OKKJLVBELUTLKV-UHFFFAOYSA-N	67-56-1	18	39	28	19	13	59	6	60	55	19	16	14	26	17	20	21	14	26	19	28	30	13	18	17
ethanol	LFQSCWFLJHTTHZ-UHFFFAOYSA-N	64-17-5	12	50	24	26	17	59	15	61	51	14	15	10	25	9	15	20	15	32	32	31	40	9	14	15
1-propanol	BDERNNFJNOPAEC-UHFFFAOYSA-N	71-23-8	41	197	55	10	39	62	14	52	72	8	35	17	29	9	14	13	27	54	33	14	60	29	20	3
1-butanol	LRHPLDYGYMQRHN-UHFFFAOYSA-N	71-36-3	53	212	106	9	78	124	50	64	216	20	75	25	22	34	46	16	76	78	54	16	57	35	26	5
1-pentanol	AMQJEAYHLZJPGS-UHFFFAOYSA-N	71-41-0	43	183	163	25	113	183	82	67	205	98	111	63	16	52	57	19	159	132	71	61	182	63	34	87
1-hexanol	ZSIAUFGUXNUGDI-UHFFFAOYSA-N	111-27-3	48	113	105	24	175	67	60	26	254	154	75	59	12	39	37	25	184	115	74	151	196	71	42	170
1-octanol	KBPLFHHGFOOTCA-UHFFFAOYSA-N	111-87-5	9	-1	23	-4	121	57	10	28	239	8	30	8	15	2	-5	14	55	17	51	18	69	17	6	36
2-pentanol	JYVLIDXNZAXMDK-UHFFFAOYSA-N	6032-29-7	46	95	230	31	103	117	50	70	179	117	170	78	14	40	41	26	44	104	76	59	157	65	31	93
3-methyl-butanol	PHTQWCKDNZKARW-UHFFFAOYSA-N	123-51-3	38	174	100	8	107	108	42	58	239	75	51	25	14	28	27	17	78	87	74	-1	37	48	30	26
3-methyl-2-buten-1-ol	ASUAYTHWZCLXAN-UHFFFAOYSA-N	556-82-1	44	213	62	9	87	105	34	66	193	51	55	20	22	43	28	22	226	101	58	25	38	44	33	206
1-penten-3-ol	VHVMXWZXFBOANQ-UHFFFAOYSA-N	616-25-1	42	141	212	7	93	62	38	69	54	79	105	40	12	40	41	17	19	115	61	34	34	47	20	6
1-octen-3-ol	VSMOENVRRABVKN-UHFFFAOYSA-N	3391-86-4	35	26	57	8	178	125	28	8	158	121	46	91	17	23	17	34	175	30	50	54	193	38	10	209
E2-hexenol	ZCHHRLHTBGRGOT-SNAWJCMRSA-N	928-95-0	43	197	113	6	108	91	50	46	240	53	91	32	14	49	22	22	120	148	32	82	267	70	18	226
Z2-hexenol	ZCHHRLHTBGRGOT-PLNGDYQASA-N	928-94-9	42	168	91	-1	114	115	64	46	219	97	175	31	13	28	28	12	116	105	53	23	162	57	14	104
E3-hexenol	UFLHIIWVXFIJGU-ONEGZZNKSA-N	928-97-2	53	171	201	27	103	86	49	54	230	65	57	29	13	37	34	25	171	108	50	163	254	78	9	149
Z3-hexenol	UFLHIIWVXFIJGU-ARJAWSKDSA-N	928-96-1	37	167	157	9	113	85	45	55	221	119	81	53	18	45	44	12	127	117	50	101	208	62	10	150
glycerol	PEDCQBHIVMGVHV-UHFFFAOYSA-N	56-81-5	10	15	11	6	8	8	2	40	13	3	7	3	46	8	-2	15	9	5	12	15	12	9	34	10
2,3-butanediol	OWBTYPJTUOEWEK-UHFFFAOYSA-N	513-85-9	14	2	250	9	10	54	5	61	21	10	112	3	36	3	12	12	24	41	40	27	29	16	26	20
methyl acetate	KXKVLQRXCPHEJC-UHFFFAOYSA-N	79-20-9	13	11	27	23	16	58	11	40	11	9	24	26	26	3	271	15	18	13	31	4	42	19	40	16
ethyl acetate	XEKOWRVHYACXOJ-UHFFFAOYSA-N	141-78-6	5	23	40	20	36	57	11	35	35	29	134	87	40	23	179	18	54	35	33	79	31	19	31	35
propyl acetate	YKYONYBAUNKHLG-UHFFFAOYSA-N	109-60-4	39	13	164	81	28	202	21	38	119	33	176	215	13	19	68	20	86	69	31	1	176	55	37	166
butyl acetate	DKPFZGUDAPQIHT-UHFFFAOYSA-N	123-86-4	59	-2	154	142	60	216	38	37	80	41	140	206	9	27	50	41	175	51	52	3	262	63	26	239
pentyl acetate	PGMYKACGEOXYJE-UHFFFAOYSA-N	628-63-7	43	13	88	13	159	162	29	13	208	33	91	242	23	16	67	52	227	23	37	44	203	42	35	203
hexyl acetate	AOGQPLXWSUTHQB-UHFFFAOYSA-N	142-92-7	37	-2	47	-5	79	176	11	36	223	18	18	202	10	5	41	60	61	8	40	5	47	9	29	90
isobutyl acetate	GJRQTCIYDGXPES-UHFFFAOYSA-N	110-19-0	39	55	175	226	77	255	18	40	43	46	179	184	19	5	46	22	42	79	45	-9	146	46	33	220
isopentyl acetate	MLFHJEHSLIIPHL-UHFFFAOYSA-N	123-92-2	73	-16	142	222	110	236	30	31	39	38	98	123	9	19	48	28	140	54	55	-2	244	34	25	260
E2-hexenyl acetate	HRHOWZHRCRZVCU-WAYWQWQTSA-N	2497-18-9	30	221	33	10	66	198	13	38	244	4	9	60	15	14	47	54	84	18	44	14	60	18	24	215
methyl butyrate	UUIQMZJEGPQKFD-UHFFFAOYSA-N	623-42-7	33	16	146	57	23	224	11	44	119	31	176	149	22	28	138	21	126	81	41	17	91	37	34	81
ethyl butyrate	OBNCKNCVKJNDBV-UHFFFAOYSA-N	105-54-4	20	18	124	43	102	197	24	62	138	43	201	75	31	5	41	10	178	118	43	139	115	33	17	93
hexyl butyrate	XAPCMTMQBXLDBB-UHFFFAOYSA-N	2639-63-6	12	13	5	13	35	43	10	29	242	13	9	18	30	8	4	26	73	12	26	54	110	8	19	40
ethyl 3-hydroxybutyrate	OMSUIQOIVADKIM-UHFFFAOYSA-N	5405-41-4	61	-10	207	82	59	142	43	25	104	56	148	77	12	50	37	57	107	95	21	224	248	79	4	200
ethyl propionate	FKRCODPIKNYEAC-UHFFFAOYSA-N	105-37-3	29	102	61	52	16	192	4	106	18	22	170	56	24	3	101	22	22	53	34	58	70	33	21	53
ethyl methanoate	WBJINCZRORDGAQ-UHFFFAOYSA-N	109-94-4	11	125	27	17	12	17	4	25	6	7	11	-2	36	11	29	21	9	7	14	15	35	15	21	28
methyl hexanoate	NUKZAGXMHTUAFE-UHFFFAOYSA-N	106-70-7	47	57	56	31	65	260	18	9	7	24	60	211	14	20	4	37	98	27	34	-2	241	40	-1	200
ethyl hexanoate	SHZIWNPUGXLXDT-UHFFFAOYSA-N	123-66-0	30	4	23	0	71	228	22	25	-4	27	6	139	16	6	-6	25	154	3	26	-8	102	17	15	67
hexyl hexanoate	NCDCLPBOMHPFCV-UHFFFAOYSA-N	6378-65-0	9	13	0	13	4	35	5	26	143	7	1	0	51	7	9	16	8	2	13	19	30	16	29	17
methyl octanoate	JGHZJRVDZXSNKQ-UHFFFAOYSA-N	111-11-5	9	10	7	1	29	241	6	28	27	8	6	59	21	12	-6	40	4	8	32	2	75	8	18	35
ethyl octanoate	YYZUSRORWSJGET-UHFFFAOYSA-N	106-32-1	9	10	5	0	21	99	5	21	5	9	5	19	40	2	0	25	1	7	21	6	52	8	21	34
ethyl decanoate	RGXWDWUGBIJHDO-UHFFFAOYSA-N	110-38-3	13	5	5	57	12	10	8	26	7	13	9	-2	44	6	5	14	4	3	12	-6	41	5	21	24
ethyl trans-2-butenoate	ZFDIRQKJPRINOQ-HWKANZROSA-N	623-70-1	19	15	106	160	38	214	18	21	31	-1	193	45	14	11	-5	20	115	40	32	105	93	31	17	255
ethyl lactate	LZCLXQDLBQLTDK-UHFFFAOYSA-N	97-64-3	47	48	78	45	53	74	20	27	22	28	95	30	19	42	135	49	50	294	58	53	90	84	19	78
diethyl succinate	DKMROQRQHGEIOW-UHFFFAOYSA-N	123-25-1	24	6	24	1	53	209	35	17	-3	13	6	37	31	5	-7	23	186	13	48	2	48	19	31	16