ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004079
RECORD_TITLE: 2-(3-PHENOXYPHENYL)PROPIONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2-(3-PHENOXYPHENYL)PROPIONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H13NO
CH$EXACT_MASS: 223.09971
CH$SMILES: N#CC(C)c(c2)cc(cc2)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C15H13NO/c1-12(11-16)13-6-5-9-15(10-13)17-14-7-3-2-4-8-14/h2-10,12H,1H3
CH$LINK: INCHIKEY JSCONFOVXYGOST-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20865653
AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-00di-9880000000-1cd83c26509dba10f482
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
  38 2.3 23
  39 13 130
  40 1 10
  41 1.2 12
  51 27 270
  52 3 30
  53 1.2 12
  55 0.13 1
  62 1.7 17
  63 6.2 62
  64 3.8 38
  65 0.75 8
  66 1.6 16
  74 1.4 14
  75 3.5 35
  76 0.77 8
  76.5 1.5 15
  77 34 340
  78 4.5 45
  88 0.2 2
  89 2.9 29
  90 2.9 29
  91 6.2 62
  92 0.23 2
  93 0.9 9
  94 7.7 77
  95 0.8 8
  101 0.16 2
  102 2.9 29
  103 8.9 89
  103.5 2 20
  104 0.32 3
  114 1.5 15
  115 4.9 49
  116 1.5 15
  117 1.1 11
  118 1.6 16
  127 1.3 13
  128 1.6 16
  129 0.1 1
  130 14 140
  131 1.4 14
  132 0.9 9
  140 0.14 1
  141 11 110
  142 1.9 19
  145 1.2 12
  151 0.11 1
  152 4.5 45
  153 4 40
  154 1.2 12
  165 0.12 1
  167 1.4 14
  168 4 40
  169 7.1 71
  170 0.41 4
  177 1 10
  178 1.1 11
  179 1 10
  180 0.91 9
  181 25.5 255
  182 3.8 38
  183 1.9 19
  190 0.1 1
  194 1.5 15
  195 4.6 46
  196 1.9 19
  197 0.16 2
  206 1.6 16
  207 1.5 15
  208 7 70
  209 0.12 1
  221 0.5 5
  222 1.9 19
  223 99.99 999
  224 1.6 16
  225 1.9 19
//
