MassBank Record: NGA03453



 20,24-Epoxydammarane-3,11,25-triol; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+NH4]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA03453
RECORD_TITLE: 20,24-Epoxydammarane-3,11,25-triol; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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: splash10-0006-0900600000-3c1f9b0ade1ca0046515 PK$NUM_PEAK: 46 PK$PEAK: m/z int. rel.int. 141.2 2.51 2 141.3 4.1 4 141.4 6.41 6 141.5 8.4 8 141.6 8.54 8 141.7 6.41 6 141.8 3.45 3 142.3 2.22 2 142.4 3.49 3 142.5 8.06 8 142.6 18.77 18 142.7 37.64 37 142.8 62.8 62 142.9 86.51 86 143.0 98.68 98 143.1 94.34 94 143.2 76.69 76 143.3 52.7 52 143.4 28.8 28 143.5 10.18 10 143.6 1.25 1 458.3 3.1 3 458.4 5.69 5 458.5 9.72 9 458.6 12.56 12 458.7 12.5 12 458.8 12.67 12 458.9 17.78 17 459.0 26.85 26 459.1 33.41 33 459.2 33.3 33 459.3 28.79 28 459.4 23.78 23 459.5 18.85 18 459.6 12.74 12 459.7 6.21 6 493.8 3.17 3 493.9 6.35 6 494.0 11.88 11 494.1 19.73 19 494.2 29.59 29 494.3 39.17 39 494.4 42.96 42 494.5 36.22 36 494.6 21.51 21 494.7 7.73 7 //