ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011540
RECORD_TITLE: ETHYL 4,7-DI(PARA-ETHOXYPHENYL)-1,2,5-THIADIAZOLO(3,4-C)PYRIDINE-6-CARBOXYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 4,7-DI(PARA-ETHOXYPHENYL)-1,2,5-THIADIAZOLO(3,4-C)PYRIDINE-6-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₂₃N₃O₄S
CH$EXACT_MASS: 449.14093
CH$SMILES: CCOc(c4)ccc(c4)c(n1)c(n3)c(ns3)c(c(c2)ccc(OCC)c2)c(C(=O)OCC)1
CH$IUPAC: InChI=1S/C24H23N3O4S/c1-4-29-17-11-7-15(8-12-17)19-21-23(27-32-26-21)20(25-22(19)24(28)31-6-3)16-9-13-18(14-10-16)30-5-2/h7-14H,4-6H2,1-3H3
CH$LINK: INCHIKEY OTYJWIJGRCCOGZ-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-7219700000-aa52c59027b9ec114ae7
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  38 11.43 114
  40 22.72 227
  42 21.33 213
  43 19.57 196
  44 9.57 96
  54 10.01 100
  56 14.14 141
  65 10.35 104
  69 9.73 97
  91 8.41 84
  119 10.47 105
  121 12.28 123
  137 12.25 123
  157 8.71 87
  290 9.9 99
  291 11.38 114
  292 11.13 111
  319 11.08 111
  320 30.2 302
  321 12.75 128
  347 10.19 102
  348 17.49 175
  349 14.35 144
  376 10.14 101
  377 56.18 562
  378 11.07 111
  449 99.99 999
  450 34.53 345
  451 8.16 82
//