MassBank Record: JP002762



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

ACCESSION: JP002762
RECORD_TITLE: PERICYAZINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: PERICYAZINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H23N3OS CH$EXACT_MASS: 365.15618 CH$SMILES: N#Cc(c4)cc(c(c4)1)N(CCCN(C3)CCC(O)C3)c(c2)c(ccc2)S1 CH$IUPAC: InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2
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: splash10-03xu-7932000000-163720fa7ee8e5adf313 PK$NUM_PEAK: 49 PK$PEAK: m/z int. rel.int. 41 22.9 229 42 46.9 469 43 25.9 259 44 9.1 91 53 6.9 69 55 13.9 139 56 22.9 229 57 1.49 15 58 4.9 49 69 7.9 79 70 20.9 209 71 0.79 8 72 5.9 59 77 6.9 69 82 4.9 49 83 0.49 5 84 5.9 59 96 10.9 109 97 5.9 59 98 0.69 7 100 23.9 239 105 10.9 109 112 11.9 119 113 1.09 11 114 99.99 999 115 42.9 429 126 7.9 79 127 0.39 4 128 34.9 349 140 6.9 69 141 13.9 139 142 8.6 86 143 6.9 69 205 18.9 189 223 22.9 229 224 1.09 11 237 14.9 149 238 8.9 89 248 1.9 19 249 0.29 3 250 2.9 29 251 1.9 19 263 35.9 359 264 2.39 24 293 0.9 9 347 0.9 9 365 78.9 789 366 0.14 1 367 3 30 //