MassBank Record: NGA03454



 20,24-Epoxydammarane-3,11,25-triol; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+NH4]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA03454
RECORD_TITLE: 20,24-Epoxydammarane-3,11,25-triol; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+NH4]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Triterpenoids

CH$NAME: 20,24-Epoxydammarane-3,11,25-triol CH$COMPOUND_CLASS: Terpenoids CH$FORMULA: C30H52O4 CH$EXACT_MASS: 476.74654000000004 CH$SMILES: CC(C)(O)C1CC[C@](C)(C2CC[C@]3(C)C2C[C@@H](O)C2[C@@]4(C)CC[C@H](O)C(C)(C)C4CC[C@]23C)O1 CH$IUPAC: InChI=1S/C30H52O4/c1-25(2)21-10-15-29(7)24(27(21,5)13-11-22(25)32)20(31)17-19-18(9-14-28(19,29)6)30(8)16-12-23(34-30)26(3,4)33/h18-24,31-33H,9-17H2,1-8H3/t18?,19?,20-,21?,22+,23?,24?,27+,28-,29-,30-/m1/s1 CH$LINK: PUBCHEM CID:4396117 CH$LINK: INCHIKEY VGALEQRDKRZJFD-NGJDISLOSA-N
AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+NH4]+
PK$SPLASH: splash10-0006-0900700000-e6587b840f7094d7c21f PK$NUM_PEAK: 46 PK$PEAK: m/z int. rel.int. 142.4 0.5 0 142.5 1.88 1 142.6 10.12 10 142.7 29.08 29 142.8 57.13 57 142.9 84.59 84 143.0 99.74 99 143.1 97.92 97 143.2 82.67 82 143.3 59.65 59 143.4 34.19 34 143.5 12.89 12 143.6 1.79 1 422.7 3.03 3 422.8 4.58 4 422.9 7.05 7 423.0 10.11 10 423.1 13.68 13 423.2 17.52 17 423.3 19.75 19 423.4 17.84 17 423.5 11.9 11 423.6 5.45 5 440.5 2.93 2 440.6 6.75 6 440.7 13.25 13 440.8 19.43 19 440.9 21.75 21 441.0 21.0 20 441.1 22.05 22 441.2 28.01 27 441.3 36.51 36 441.4 41.72 41 441.5 38.94 38 441.6 28.04 28 441.7 14.2 14 441.8 4.09 4 458.8 4.05 4 458.9 5.09 5 459.0 7.56 7 459.1 12.16 12 459.2 16.86 16 459.3 18.19 18 459.4 15.05 15 459.5 9.76 9 459.6 5.38 5 //