MassBank Record: MSBNK-RIKEN_NPDepo-NGA03369
ACCESSION: MSBNK-RIKEN_NPDepo-NGA03369
RECORD_TITLE: lycoperodine I; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant, Pyrans
CH$NAME: lycoperodine I
CH$COMPOUND_CLASS: Flavonoids
CH$FORMULA: C12H12N2O2
CH$EXACT_MASS: 216.2416
CH$SMILES: O=C(O)[C@H]1Cc2c([nH]c3ccccc23)CN1
CH$IUPAC: InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)/t10-/m1/s1
CH$LINK: CAS
42438-90-4
CH$LINK: CHEMSPIDER
395977
CH$LINK: INCHIKEY
FSNCEEGOMTYXKY-SNVBAGLBSA-N
CH$LINK: COMPTOX
DTXSID80350176
CH$LINK: PUBCHEM
CID:675102
AC$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+H]+
PK$SPLASH: splash10-0006-0900000000-80ecbcf7e37411069404
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
73.7 2.93 2
73.8 4.41 4
73.9 6.12 6
74.0 7.52 7
74.1 7.98 7
74.2 7.2 7
74.3 5.38 5
74.4 3.14 3
142.6 2.29 2
142.7 3.46 3
142.8 4.75 4
142.9 6.25 6
143.0 7.69 7
143.1 8.58 8
143.2 9.07 9
143.3 9.96 9
143.4 11.43 11
143.5 13.48 13
143.6 18.17 18
143.7 29.47 29
143.8 49.08 49
143.9 72.61 72
144.0 91.62 91
144.1 100.0 99
144.2 97.03 96
144.3 83.97 83
144.4 61.55 61
144.5 33.73 33
144.6 9.73 9
144.7 0.0 0
//
system version 2.2.8-SNAPSHOT