MassBank Record: JP003749



 RESERPINE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003749
RECORD_TITLE: RESERPINE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: SASAKI STOYOHASHI UNIV. OF TECH., TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: RESERPINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C33H40N2O9 CH$EXACT_MASS: 608.27338 CH$SMILES: CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC CH$IUPAC: InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1 CH$LINK: INCHIKEY QEVHRUUCFGRFIF-MDEJGZGSSA-N
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052b-0944108000-d2416a07c507dd693e2b PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 195 99.99 999 251 38 380 265 15 150 366 0.18 2 381 25 250 397 25 250 414 20 200 577 0.06 1 593 10 100 607 32 320 608 52 520 609 0.19 2 610 5 50 //