,C,H,H_plus,N,O,P,S,Na,Cl,K,e_minus,ACN,Ac_minus,Mg,Si,D,C_thirteen,Species_class,Adduct_hierarchy_lookup_class,DB_gen_compound_type
lithocholic_acid,24,40,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,bile_salt,bilesalt,DB_unique_species
cholic_acid,24,40,0,0,5,0,0,0,0,0,0,0,0,0,0,0,0,bile_salt,bilesalt,DB_unique_species
deoxycholic_acid,24,40,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,bile_salt,bilesalt,DB_unique_species
WaxEster,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,IP_DAG,WaxEster,DB_acyl_iteration
CholesterolAcetate,29,48,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,sterol,CholesterolAcetate,DB_unique_species
Cholesterol2H,27,44,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,sterol,Cholesterol2H,DB_unique_species
CoprostanolEsters,27,47,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,IP_MAG,Coprostanol,DB_acyl_iteration
CholesterolEsters,27,45,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,IP_MAG,Cholesterol,DB_acyl_iteration
ArachidonicAcid-d8,20,24,0,0,2,0,0,0,0,0,0,0,0,0,0,8,0,FFA,FFA,DB_unique_species
Trimyristin-d15,45,71,0,0,6,0,0,0,0,0,0,0,0,0,0,15,0,TAG,TAG,DB_unique_species
FFA,0,1,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,FFA,FFA,DB_acyl_iteration
DGCC,10,19,0,1,8,0,0,0,0,0,0,0,0,0,0,0,0,IP_DAG,DGCC,DB_acyl_iteration
LDGCC,10,20,0,1,7,0,0,0,0,0,0,0,0,0,0,0,0,IP_MAG,DGCC,DB_acyl_iteration
DGDG,15,26,0,0,15,0,0,0,0,0,0,0,0,0,0,0,0,IP_DAG,DGDG,DB_acyl_iteration
LDGDG,15,27,0,0,14,0,0,0,0,0,0,0,0,0,0,0,0,IP_MAG,DGDG,DB_acyl_iteration
DGTS_DGTA,10,19,0,1,7,0,0,0,0,0,0,0,0,0,0,0,0,IP_DAG,DGTS_DGTA,DB_acyl_iteration
LDGTS_DGTA,10,20,0,1,6,0,0,0,0,0,0,0,0,0,0,0,0,IP_MAG,DGTS_DGTA,DB_acyl_iteration
DNPPE,43,76,0,3,12,1,0,0,0,0,0,0,0,0,0,0,0,DNPPE,DNPPE,DB_unique_species
DAG,3,6,0,0,5,0,0,0,0,0,0,0,0,0,0,0,0,IP_DAG,DAG,DB_acyl_iteration
MAG,3,7,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,IP_MAG,MAG,DB_acyl_iteration
Astaxanthin,40,52,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,astaxanthin,astaxanthin,DB_unique_species
PA,3,7,0,0,8,1,0,0,0,0,0,0,0,0,0,0,0,IP_DAG,PA,DB_acyl_iteration
LPA,3,8,0,0,7,1,0,0,0,0,0,0,0,0,0,0,0,IP_MAG,PA,DB_acyl_iteration
PE,5,12,0,1,8,1,0,0,0,0,0,0,0,0,0,0,0,IP_DAG,PE,DB_acyl_iteration
LPE,5,13,0,1,7,1,0,0,0,0,0,0,0,0,0,0,0,IP_MAG,PE,DB_acyl_iteration
PG,6,13,0,0,10,1,0,0,0,0,0,0,0,0,0,0,0,IP_DAG,PG,DB_acyl_iteration
LPG,6,14,0,0,9,1,0,0,0,0,0,0,0,0,0,0,0,IP_MAG,PG,DB_acyl_iteration
PC,8,18,0,1,8,1,0,0,0,0,0,0,0,0,0,0,0,IP_DAG,PC,DB_acyl_iteration
LPC,8,19,0,1,7,1,0,0,0,0,0,0,0,0,0,0,0,IP_MAG,LPC,DB_acyl_iteration
PUA,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,PUA,PUA,DB_acyl_iteration
SQDG,9,16,0,0,12,0,1,0,0,0,0,0,0,0,0,0,0,IP_DAG,SQDG,DB_acyl_iteration
LSQDG,9,17,0,0,11,0,1,0,0,0,0,0,0,0,0,0,0,IP_MAG,SQDG,DB_acyl_iteration
Chl_a,55,72,0,4,5,0,0,0,0,0,0,0,0,1,0,0,0,pigment,pigment,DB_unique_species
MGDG,9,16,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,IP_DAG,MGDG,DB_acyl_iteration
LMGDG,9,17,0,0,9,0,0,0,0,0,0,0,0,0,0,0,0,IP_MAG,MGDG,DB_acyl_iteration
ACN,2,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,basic_component,,basic_component
Ac-,2,3,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,basic_component,,basic_component
[M-H]-,0,-1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,adduct_neg,,adduct_neg
[M+HAc-H]-,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,adduct_neg,,adduct_neg
[M+Cl]-,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,adduct_neg,,adduct_neg
[M+2NaAc+Cl]-,0,0,0,0,0,0,0,2,1,0,1,0,2,0,0,0,0,adduct_neg,,adduct_neg
[M+3Ac+2Na]-,0,0,0,0,0,0,0,2,0,0,1,0,3,0,0,0,0,adduct_neg,,adduct_neg
[M+NaAc-H]-,0,-1,0,0,0,0,0,1,0,0,1,0,1,0,0,0,0,adduct_neg,,adduct_neg
[M+K-2H]-,0,-2,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,adduct_neg,,adduct_neg
[M+Na-2H]-,0,-2,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,adduct_neg,,adduct_neg
[M+Na+Cl-H]-,0,-1,0,0,0,0,0,1,1,0,1,0,0,0,0,0,0,adduct_neg,,adduct_neg
[M+NaAc+Cl]-,0,0,0,0,0,0,0,1,1,0,1,0,1,0,0,0,0,adduct_neg,,adduct_neg
[M+NaAc+HAc-H]-,0,0,0,0,0,0,0,1,0,0,1,0,2,0,0,0,0,adduct_neg,,adduct_neg
[M+2Na-H]+,0,-1,0,0,0,0,0,2,0,0,-1,0,0,0,0,0,0,adduct_pos,,adduct_pos
[M+H]+,0,1,0,0,0,0,0,0,0,0,-1,0,0,0,0,0,0,adduct_pos,,adduct_pos
[M+K]+,0,0,0,0,0,0,0,0,0,1,-1,0,0,0,0,0,0,adduct_pos,,adduct_pos
[M+Na]+,0,0,0,0,0,0,0,1,0,0,-1,0,0,0,0,0,0,adduct_pos,,adduct_pos
[M+NH4+ACN]+,0,4,0,1,0,0,0,0,0,0,-1,1,0,0,0,0,0,adduct_pos,,adduct_pos
[M+NH4]+,0,4,0,1,0,0,0,0,0,0,-1,0,0,0,0,0,0,adduct_pos,,adduct_pos
[M+C2H3Na2O2]+,2,3,0,0,2,0,0,2,0,0,-1,0,0,0,0,0,0,adduct_pos,,adduct_pos
[M+2Na+Cl]+,0,0,0,0,0,0,0,2,1,0,-1,0,0,0,0,0,0,adduct_pos,,adduct_pos
[M+C4H10N3]+,4,10,0,3,0,0,0,0,0,0,-1,0,0,0,0,0,0,adduct_pos,,adduct_pos
TAG,3,5,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,TAG,TAG,DB_acyl_iteration
19prime_but_fuco,46,64,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,pigment,pigment,DB_unique_species
19prime_hex_fuco,48,68,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,pigment,pigment,DB_unique_species
Allox,40,52,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,pigment,pigment,DB_unique_species
Alpha_carotene,40,56,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,pigment,pigment,DB_unique_species
Beta_carotenes,40,56,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,pigment,pigment,DB_unique_species
Chl_b,55,70,0,4,6,0,0,0,0,0,0,0,0,1,0,0,0,pigment,pigment,DB_unique_species
Chl_c2,35,28,0,4,5,0,0,0,0,0,0,0,0,1,0,0,0,pigment,pigment,DB_unique_species
Chl_c3,36,28,0,4,7,0,0,0,0,0,0,0,0,1,0,0,0,pigment,pigment,DB_unique_species
Chlide_a,35,34,0,4,5,0,0,0,0,0,0,0,0,1,0,0,0,pigment,pigment,DB_unique_species
Croco,40,54,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,pigment,pigment,DB_unique_species
Dd_Ddc,40,54,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,pigment,pigment,DB_unique_species
Dt,40,54,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,pigment,pigment,DB_unique_species
Echin,40,54,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,pigment,pigment,DB_unique_species
Fuco,42,58,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,pigment,pigment,DB_unique_species
Lut,40,56,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,pigment,pigment,DB_unique_species
Neox_Nos,40,56,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,pigment,pigment,DB_unique_species
Peri,39,50,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,pigment,pigment,DB_unique_species
Pheophytin_a,55,74,0,4,5,0,0,0,0,0,0,0,0,0,0,0,0,pigment,pigment,DB_unique_species
Pras,40,56,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,pigment,pigment,DB_unique_species
Viol,40,56,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,pigment,pigment,DB_unique_species
Zeax,40,56,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,pigment,pigment,DB_unique_species
Scytonemin,36,20,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,scytonemin,scytonemin,DB_unique_species
Red_scytonemin,36,22,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,reduced_scytonemin,reduced_scytonemin,DB_unique_species
BLL,10,17,0,1,10,0,0,0,0,0,0,0,0,0,0,0,0,IP_DAG,BLL,DB_acyl_iteration
PDPT,8,17,0,0,8,1,1,0,0,0,0,0,0,0,0,0,0,IP_DAG,PDPT,DB_acyl_iteration
S_DGCC,10,18,0,0,8,0,1,0,0,0,0,0,0,0,0,0,0,IP_DAG,S_DGCC,DB_acyl_iteration
vGSL,45,89,0,1,10,0,0,0,0,0,0,0,0,0,0,0,0,vGSL,vGSL,DB_unique_species
sGSL,49,91,0,1,11,0,0,0,0,0,0,0,0,0,0,0,0,sGSL,sGSL,DB_unique_species
hGSL,47,83,0,1,9,0,0,0,0,0,0,0,0,0,0,0,0,hGSL,hGSL,DB_unique_species
hapGSL(t40:0),46,91,0,1,9,0,0,0,0,0,0,0,0,0,0,0,0,hapGSL,hapGSL,DB_unique_species
hapGSL(t40:1),46,89,0,1,9,0,0,0,0,0,0,0,0,0,0,0,0,hapGSL,hapGSL,DB_unique_species
hapCER(d18:1/22:0(OH)),40,79,0,1,4,0,0,0,0,0,0,0,0,0,0,0,0,hapCER,hapCER,DB_unique_species
hapCER(d18:1/22:1(OH)),40,77,0,1,4,0,0,0,0,0,0,0,0,0,0,0,0,hapCER,hapCER,DB_unique_species
fngGSL(20:1_OH),45,83,0,1,9,0,0,0,0,0,0,0,0,0,0,0,0,fungalGSL,fungalGSL,DB_unique_species
fngGSL(20:0_OH),45,85,0,1,9,0,0,0,0,0,0,0,0,0,0,0,0,fungalGSL,fungalGSL,DB_unique_species
fngGSL(19:1_OH),44,81,0,1,9,0,0,0,0,0,0,0,0,0,0,0,0,fungalGSL,fungalGSL,DB_unique_species
fngGSL(19:0_OH),44,83,0,1,9,0,0,0,0,0,0,0,0,0,0,0,0,fungalGSL,fungalGSL,DB_unique_species
fngGSL(18:1_OH),43,79,0,1,9,0,0,0,0,0,0,0,0,0,0,0,0,fungalGSL,fungalGSL,DB_unique_species
fngGSL(18:0_OH),43,81,0,1,9,0,0,0,0,0,0,0,0,0,0,0,0,fungalGSL,fungalGSL,DB_unique_species
fngGSL(17:1_OH),42,77,0,1,9,0,0,0,0,0,0,0,0,0,0,0,0,fungalGSL,fungalGSL,DB_unique_species
fngGSL(17:0_OH),42,79,0,1,9,0,0,0,0,0,0,0,0,0,0,0,0,fungalGSL,fungalGSL,DB_unique_species
fngGSL(16:1_OH),41,75,0,1,9,0,0,0,0,0,0,0,0,0,0,0,0,fungalGSL,fungalGSL,DB_unique_species
fngGSL(16:0_OH),41,77,0,1,9,0,0,0,0,0,0,0,0,0,0,0,0,fungalGSL,fungalGSL,DB_unique_species
fngGSL(15:1_OH),40,73,0,1,9,0,0,0,0,0,0,0,0,0,0,0,0,fungalGSL,fungalGSL,DB_unique_species
fngGSL(15:0_OH),40,75,0,1,9,0,0,0,0,0,0,0,0,0,0,0,0,fungalGSL,fungalGSL,DB_unique_species
fngGSL(14:1_OH),39,71,0,1,9,0,0,0,0,0,0,0,0,0,0,0,0,fungalGSL,fungalGSL,DB_unique_species
fngGSL(14:0_OH),39,73,0,1,9,0,0,0,0,0,0,0,0,0,0,0,0,fungalGSL,fungalGSL,DB_unique_species
PQ9,53,80,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,plastoquinone_9,plastoquinone_9,DB_unique_species
PQ9OH,53,80,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,plastoquinone_9OH,plastoquinone_9OH,DB_unique_species
PQ9OH2,53,80,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,plastoquinone_9OH2,plastoquinone_9OH2,DB_unique_species
UQ1:1,14,18,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,ubiquinone,ubiquinone,DB_unique_species
UQ2:2,19,26,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,ubiquinone,ubiquinone,DB_unique_species
UQ3:3,24,34,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,ubiquinone,ubiquinone,DB_unique_species
UQ4:4,29,42,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,ubiquinone,ubiquinone,DB_unique_species
UQ5:5,34,50,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,ubiquinone,ubiquinone,DB_unique_species
UQ6:6,39,58,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,ubiquinone,ubiquinone,DB_unique_species
UQ7:7,44,66,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,ubiquinone,ubiquinone,DB_unique_species
UQ8:8,49,74,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,ubiquinone,ubiquinone,DB_unique_species
UQ9:9,54,82,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,ubiquinone,ubiquinone,DB_unique_species
UQ10:10,59,90,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,ubiquinone,ubiquinone,DB_unique_species
UQ11:11,64,98,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,ubiquinone,ubiquinone,DB_unique_species
UQ12:12,69,106,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,ubiquinone,ubiquinone,DB_unique_species
UQ13:13,74,114,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,ubiquinone,ubiquinone,DB_unique_species
PDMS6,12,36,0,0,6,0,0,0,0,0,0,0,0,0,6,0,0,PDMS,PDMS,DB_unique_species
PDMS7,14,42,0,0,7,0,0,0,0,0,0,0,0,0,7,0,0,PDMS,PDMS,DB_unique_species
PDMS8,16,48,0,0,8,0,0,0,0,0,0,0,0,0,8,0,0,PDMS,PDMS,DB_unique_species
PDMS9,18,54,0,0,9,0,0,0,0,0,0,0,0,0,9,0,0,PDMS,PDMS,DB_unique_species
PDMS10,20,60,0,0,10,0,0,0,0,0,0,0,0,0,10,0,0,PDMS,PDMS,DB_unique_species
PDMS11,22,66,0,0,11,0,0,0,0,0,0,0,0,0,11,0,0,PDMS,PDMS,DB_unique_species
PDMS12,24,72,0,0,12,0,0,0,0,0,0,0,0,0,12,0,0,PDMS,PDMS,DB_unique_species
PDMS13,26,78,0,0,13,0,0,0,0,0,0,0,0,0,13,0,0,PDMS,PDMS,DB_unique_species
PDMS14,28,84,0,0,14,0,0,0,0,0,0,0,0,0,14,0,0,PDMS,PDMS,DB_unique_species
PDMS15,30,90,0,0,15,0,0,0,0,0,0,0,0,0,15,0,0,PDMS,PDMS,DB_unique_species
PDMS16,32,96,0,0,16,0,0,0,0,0,0,0,0,0,16,0,0,PDMS,PDMS,DB_unique_species
PDMS17,34,102,0,0,17,0,0,0,0,0,0,0,0,0,17,0,0,PDMS,PDMS,DB_unique_species
PDMS18,36,108,0,0,18,0,0,0,0,0,0,0,0,0,18,0,0,PDMS,PDMS,DB_unique_species
PDMS19,38,114,0,0,19,0,0,0,0,0,0,0,0,0,19,0,0,PDMS,PDMS,DB_unique_species
PDMS20,40,120,0,0,20,0,0,0,0,0,0,0,0,0,20,0,0,PDMS,PDMS,DB_unique_species
PDMS21,42,126,0,0,21,0,0,0,0,0,0,0,0,0,21,0,0,PDMS,PDMS,DB_unique_species
PDMS22,44,132,0,0,22,0,0,0,0,0,0,0,0,0,22,0,0,PDMS,PDMS,DB_unique_species
PDMS23,46,138,0,0,23,0,0,0,0,0,0,0,0,0,23,0,0,PDMS,PDMS,DB_unique_species
PDMS24,48,144,0,0,24,0,0,0,0,0,0,0,0,0,24,0,0,PDMS,PDMS,DB_unique_species
PDMS25,50,150,0,0,25,0,0,0,0,0,0,0,0,0,25,0,0,PDMS,PDMS,DB_unique_species
PDMS26,52,156,0,0,26,0,0,0,0,0,0,0,0,0,26,0,0,PDMS,PDMS,DB_unique_species
PDMS27,54,162,0,0,27,0,0,0,0,0,0,0,0,0,27,0,0,PDMS,PDMS,DB_unique_species