MassBank Record: NGA03455



 20,24-Epoxydammarane-3,11,25-triol; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+NH4]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA03455
RECORD_TITLE: 20,24-Epoxydammarane-3,11,25-triol; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [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: splash10-0006-0900400000-eea1dafdcb20d5872a85 PK$NUM_PEAK: 70 PK$PEAK: m/z int. rel.int. 124.6 3.4 3 124.7 5.09 5 124.8 7.62 7 124.9 9.27 9 125.0 8.33 8 125.1 5.37 5 142.1 2.06 2 142.2 4.75 4 142.3 9.34 9 142.4 13.36 13 142.5 14.96 14 142.6 19.55 19 142.7 34.93 34 142.8 61.47 61 142.9 87.84 87 143.0 98.9 98 143.1 88.98 88 143.2 66.29 66 143.3 43.48 43 143.4 26.23 26 143.5 13.6 13 143.6 4.83 4 148.5 1.55 1 148.6 2.97 2 148.7 6.69 6 148.8 11.87 11 148.9 15.16 15 149.0 13.55 13 149.1 8.1 8 149.2 3.03 3 206.7 3.25 3 206.8 5.88 5 206.9 9.46 9 207.0 10.85 10 207.1 8.35 8 207.2 4.16 4 422.6 2.28 2 422.7 4.45 4 422.8 7.76 7 422.9 10.64 10 423.0 11.4 11 423.1 11.27 11 423.2 14.42 14 423.3 21.97 21 423.4 27.74 27 423.5 24.53 24 423.6 13.64 13 423.7 3.59 3 440.5 3.37 3 440.6 5.17 5 440.7 6.59 6 440.8 7.54 7 440.9 8.36 8 441.0 8.66 8 441.1 8.13 8 441.2 8.61 8 441.3 12.81 12 441.4 19.77 19 441.5 23.66 23 441.6 19.91 19 441.7 10.94 10 441.8 3.41 3 458.4 3.1 3 458.5 6.06 6 458.6 10.33 10 458.7 14.02 14 458.8 14.55 14 458.9 11.24 11 459.0 6.33 6 459.1 2.82 2 //