MassBank Record: NGA02679



 Geniposide; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+Na]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA02679
RECORD_TITLE: Geniposide; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+Na]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Monoterpenoids, Iridoid monoterpenoids

CH$NAME: Geniposide CH$COMPOUND_CLASS: Terpenoids CH$FORMULA: C17H24O10 CH$EXACT_MASS: 388.37483 CH$SMILES: COC(=O)C1=CO[C@@H](OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12 CH$IUPAC: InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h2,6,8,10-14,16-22H,3-5H2,1H3/t8-,10-,11-,12-,13+,14-,16+,17?/m1/s1 CH$LINK: CAS 24512-63-8 CH$LINK: PUBCHEM CID:23089587 CH$LINK: INCHIKEY IBFYXTRXDNAPMM-NOPYRFGNSA-N
AC$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+Na]+
PK$SPLASH: splash10-03di-0000900000-d769c96d1c60155e26eb PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 410.2 1.02 1 410.3 2.26 2 410.4 6.71 6 410.5 14.11 14 410.6 22.36 22 410.7 30.1 30 410.8 39.04 39 410.9 53.57 53 411.0 75.08 75 411.1 95.56 95 411.2 100.0 99 411.3 80.23 80 411.4 45.42 45 411.5 14.86 14 411.6 1.58 1 //