MassBank Record: NGA01678



 Longatin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA01678
RECORD_TITLE: Longatin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Isoquinoline alkaloids, Morphine alkaloids, Noscapine alkaloids

CH$NAME: Longatin CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: C22H23NO7 CH$EXACT_MASS: 413.4311100000001 CH$SMILES: COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C CH$IUPAC: InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1 CH$LINK: CAS 128-62-1 CH$LINK: PUBCHEM CID:242139 CH$LINK: INCHIKEY AKNNEGZIBPJZJG-MSOLQXFVSA-N
AC$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+H]+
PK$SPLASH: splash10-00di-0091400000-1a8c5253cc8eca01b5cb PK$NUM_PEAK: 41 PK$PEAK: m/z int. rel.int. 219.2 0.91 0 219.3 2.42 2 219.4 5.4 5 219.5 9.88 9 219.6 16.9 16 219.7 29.22 29 219.8 48.63 48 219.9 71.82 71 220.0 90.98 90 220.1 100.0 99 220.2 98.3 98 220.3 87.56 87 220.4 68.19 68 220.5 42.38 42 220.6 17.45 17 220.7 1.89 1 352.6 2.24 2 352.7 3.67 3 352.8 6.08 6 352.9 9.04 9 353.0 11.67 11 353.1 13.15 13 353.2 13.05 13 353.3 11.2 11 353.4 7.87 7 353.5 4.05 4 413.3 0.94 0 413.4 2.43 2 413.5 4.7 4 413.6 8.04 8 413.7 13.65 13 413.8 22.84 22 413.9 35.06 35 414.0 47.17 47 414.1 55.44 55 414.2 57.59 57 414.3 52.68 52 414.4 40.78 40 414.5 24.46 24 414.6 9.26 9 414.7 0.3 0 //