Molecules in the Library

Name Sum Formula Exact Mass Pubchem ID Spectra Count Tags [M-H]- [M+Cl]- [M-H2O-H]- [M-H2O+H]+ [M+H]+ [M+Na]+ [M+NH4]+ [M+CH3OH+H]+ [M+K]+
S-1P, C18-Sphingosine 1-phosphate C18H38NO5P 379.24876 5283560 3 - 378.24148 414.21816 360.23092 362.24547 380.25604 402.23798 397.28259 412.28225 418.21192
DHS Dihydrosphingosine C18H39NO2 301.29808 91486 5 - 300.29080 336.26748 282.28024 284.29479 302.30536 324.28730 319.33191 334.33157 340.26124
PHS Phytosphingosine C18H39NO3 317.29299 122121 6 - 316.28572 352.26240 298.27515 300.28971 318.30027 340.28221 335.32682 350.32649 356.25615
C16 Ceramide C34H67NO3 537.51210 2498 8 - 536.50482 572.48150 518.49425 520.50881 538.51937 560.50132 555.54592 570.54559 576.47525
C18 Ceramides C36H71NO3 565.54340 5283565 8 - 564.53612 600.51280 546.52555 548.54011 566.55067 588.53262 583.57722 598.57689 604.50655
DHS-1-P Dihydrosphingosine 1-phosphate C18H40NO5P 381.26441 644260 3 - 380.25713 416.23381 362.24657 364.26112 382.27169 404.25363 399.29824 414.29790 420.22757
C18 Dihydroceramide Cer(d18:0/18:0) C36H73NO3 567.55905 5283573 5 - 566.55177 602.52845 548.54120 550.55576 568.56632 590.54827 585.59287 600.59254 606.52220
Sphingosine (C17 base) C17H35NO2 285.26678 5283557 5 - 284.25950 320.23618 266.24894 268.26349 286.27406 308.25600 303.30060 318.30027 324.22994
Sphinganine (C17 base) C17H37NO2 287.28243 3247037 5 - 286.27515 322.25183 268.26459 270.27914 288.28971 310.27165 305.31625 320.31592 326.24559
Sphingosine-1-P (C17 base) C17H36NO5P 365.23311 5283559 4 - 364.22583 400.20251 346.21527 348.22982 366.24039 388.22233 383.26694 398.26660 404.19627
Sphinganine-1-P (C17 base) C17H38NO5P 367.24876 3247041 6 - 366.24148 402.21816 348.23092 350.24547 368.25604 390.23798 385.28259 400.28225 406.21192
Lactosylceramide (d18:1/12:0) C42H79NO13 805.55514 20057304 4 - 804.54787 840.52454 786.53730 788.55185 806.56242 828.54436 823.58897 838.58863 844.51830
Biotin C10H16N2O3S 244.08816 171548 3 - 243.08089 279.05756 225.07032 227.08488 245.09544 267.07738 262.12199 277.12165 283.05132
Cytidine C9H13N3O5 243.08552 6175 6 - 242.07824 278.05492 224.06768 226.08223 244.09280 266.07474 261.11935 276.11901 282.04868
Cholesterol C27H46O 386.35487 11025495 1 - 385.34759 421.32427 367.33702 369.35158 387.36214 409.34409 404.38869 419.38836 425.31802
Cytidine diphosphate C9H15N3O11P2 403.01818 6132 5 - 402.01091 437.98758 384.00034 386.01489 404.02546 426.00740 421.05201 436.05167 441.98134
Sphinganine C18H39NO2 301.29808 91486 4 - 300.29080 336.26748 282.28024 284.29479 302.30536 324.28730 319.33191 334.33157 340.26124
Palmitic acid C16H32O2 256.24023 985 1 - 255.23295 291.20963 237.22239 239.23694 257.24751 279.22945 274.27406 289.27372 295.20339
Dodecanoic acid C12H24O2 200.17763 3893 1 - 199.17035 235.14703 181.15979 183.17434 201.18491 223.16685 218.21146 233.21112 239.14079
Stearic acid C18H36O2 284.27153 5281 1 - 283.26425 319.24093 265.25369 267.26824 285.27881 307.26075 302.30536 317.30502 323.23469
Behenic acid C22H44O2 340.33413 8215 1 - 339.32685 375.30353 321.31629 323.33084 341.34141 363.32335 358.36796 373.36762 379.29729
Arachidic acid C20H40O2 312.30283 10467 2 - 311.29555 347.27223 293.28499 295.29954 313.31011 335.29205 330.33666 345.33632 351.26599
Myristic acid C14H28O2 228.20893 11005 1 - 227.20165 263.17833 209.19109 211.20564 229.21621 251.19815 246.24276 261.24242 267.17209
Lignoceric acid C24H48O2 368.36543 11197 1 - 367.35815 403.33483 349.34759 351.36214 369.37271 391.35465 386.39926 401.39892 407.32859
Decanoic acid C10H20O2 172.14633 4225619 1 - 171.13905 207.11573 153.12849 155.14304 173.15361 195.13555 190.18016 205.17982 211.10949
435 molecule(s) with at least one fragmentation spectrum