ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003852
RECORD_TITLE: 3-(2-BENZYLHYDRAZOCARBOXY)-5-METHYL-ISOXAZOLE; 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$NAME: 3-(2-BENZYLHYDRAZOCARBOXY)-5-METHYL-ISOXAZOLE
CH$NAME: ISOCARBOXAZID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H13N3O2
CH$EXACT_MASS: 231.10078
CH$SMILES: Cc(o2)cc(n2)C(=O)NNCc(c1)cccc1
CH$IUPAC: InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)
CH$LINK: INCHIKEY XKFPYPQQHFEXRZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4023171
AC$INSTRUMENT: Unknown
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: splash10-0006-9600000000-952a7c1093fe532d1df3
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  54 2.4 24
  55 8.9 89
  56 6.4 64
  57 1.59 16
  58 5.9 59
  65 12.9 129
  66 2.9 29
  67 0.29 3
  68 7.9 79
  69 7.9 79
  70 7.9 79
  71 1.19 12
  77 9.9 99
  78 6.4 64
  79 6.9 69
  80 0.29 3
  81 2.9 29
  82 2.9 29
  83 6.4 64
  84 0.91 9
  85 6.9 69
  89 2.9 29
  90 3.4 34
  91 99.99 999
  92 13.9 139
  93 2.9 29
  94 0.4 4
  95 0.39 4
  96 2.9 29
  97 3.9 39
  98 2.9 29
  103 0.79 8
  104 12.9 129
  105 11.9 119
  106 31.9 319
  107 0.79 8
  109 2.9 29
  110 17.9 179
  111 4.4 44
  112 1.24 12
  113 8.4 84
  119 3.9 39
  120 6.9 69
  121 0.39 4
  122 3.9 39
  123 1.9 19
  125 2.4 24
  126 0.29 3
  127 31.9 319
  128 4.9 49
  129 1.9 19
  147 0.29 3
  148 3.4 34
  149 4.4 44
  150 2.4 24
  185 0.49 5
  186 0.9 9
  188 3.9 39
  189 3.9 39
  231 0.69 7
  232 2.4 24
//
