ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010079
RECORD_TITLE: 2-(N-(2-CARBOXYPHENYL)ACETAMIDE-1-XY)-3,4-DIHYDRO-6-METHOXY-2,5,7,8-TETRAMETHYL-2H-1-BENZOPYRAN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 2-(N-(2-CARBOXYPHENYL)ACETAMIDE-1-XY)-3,4-DIHYDRO-6-METHOXY-2,5,7,8-TETRAMETHYL-2H-1-BENZOPYRAN
CH$NAME: N-(2-CARBOXYPHENYL)-1-(3,4-DIHYDRO-6-METHOXY-2,5,7,8-TETRAMETHYL-2H-1-BENZOPYRAN-2-YL)-ACETAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C23H27NO5
CH$EXACT_MASS: 397.18892
CH$SMILES: COc(c(C)1)c(C)c(C2)c(OC(C)(CC(=O)Nc(c3)c(ccc3)C(O)=O)C2)c(C)1
CH$IUPAC: InChI=1S/C23H27NO5/c1-13-14(2)21-16(15(3)20(13)28-5)10-11-23(4,29-21)12-19(25)24-18-9-7-6-8-17(18)22(26)27/h6-9H,10-12H2,1-5H3,(H,24,25)(H,26,27)
CH$LINK: INCHIKEY MLTDEXJIUPNCJM-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-0039000000-95eaa530d7ef873c4a0a
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  58 2.1 21
  61 1.4 14
  99 1.2 12
  101 0.22 2
  173 0.8 8
  199 6.5 65
  241 1.2 12
  242 0.09 1
  245 0.9 9
  256 3.6 36
  258 2 20
  277 0.16 2
  278 37.4 374
  279 15.4 154
  286 1.1 11
  292 1.47 15
  293 3.4 34
  306 1.6 16
  310 4.5 45
  312 0.1 1
  314 3.4 34
  328 1.8 18
  330 1.1 11
  342 0.14 1
  348 2 20
  351 1.9 19
  359 1.2 12
  360 0.2 2
  361 1.2 12
  363 2.9 29
  381 1.6 16
  383 0.26 3
  391 1.1 11
  395 1.7 17
  396 1.1 11
  397 99.99 999
  398 32 320
  399 9.1 91
  403 1.1 11
  411 0.19 2
  413 3.9 39
  414 1.1 11
  415 1 10
  416 0.12 1
  427 1.8 18
  430 1.1 11
//
