MassBank Record: NGA04772



 Geniposide; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HCOO]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA04772
RECORD_TITLE: Geniposide; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HCOO]-
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$MASS_SPECTROMETRY: ION_MODE NEGATIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+HCOO]-
PK$SPLASH: splash10-0fk9-0910000000-832a2850a38af7764fce PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 100.0 0.73 0 100.1 2.63 2 100.2 5.71 5 100.3 8.64 8 100.4 10.62 10 100.5 13.04 13 100.6 17.9 17 100.7 27.82 27 100.8 46.73 46 100.9 73.7 73 101.0 96.65 96 101.1 99.99 99 101.2 80.58 80 101.3 50.36 50 101.4 25.0 24 101.5 8.44 8 101.6 0.47 0 122.2 0.21 0 122.3 1.23 1 122.4 5.37 5 122.5 15.8 15 122.6 31.88 31 122.7 49.01 48 122.8 64.43 64 122.9 78.78 78 123.0 90.66 90 123.1 92.34 92 123.2 76.59 76 123.3 47.11 47 123.4 17.75 17 123.5 2.0 1 146.5 1.85 1 146.6 3.18 3 146.7 5.18 5 146.8 7.26 7 146.9 8.05 8 147.0 6.56 6 147.1 3.59 3 206.5 2.16 2 206.6 4.52 4 206.7 10.23 10 206.8 20.15 20 206.9 31.76 31 207.0 38.78 38 207.1 35.9 35 207.2 24.38 24 207.3 11.23 11 207.4 4.18 4 //