ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004153
RECORD_TITLE: N-(ORTHO-PHENOXYPHENYL)-2-PYRROLIDONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: N-(ORTHO-PHENOXYPHENYL)-2-PYRROLIDONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₅NO₂
CH$EXACT_MASS: 253.11028
CH$SMILES: c(c3)ccc(c3)Oc(c2)c(ccc2)N(C1)C(=O)CC1
CH$IUPAC: InChI=1S/C16H15NO2/c18-16-11-6-12-17(16)14-9-4-5-10-15(14)19-13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2
CH$LINK: INCHIKEY BZQZFICCIHXODN-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:101621129

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$SPLASH: splash10-03di-4900000000-af2627924e622b5d2378
PK$NUM_PEAK: 171
PK$PEAK: m/z int. rel.int.
  26 0.6 6
  27 3.6 36
  28 8.8 88
  29 0.08 1
  30 0.4 4
  32 1.4 14
  37 0.3 3
  38 0.1 1
  39 7 70
  40 0.8 8
  41 5 50
  42 0.21 2
  43 0.3 3
  44 0.3 3
  45 0.1 1
  50 0.23 2
  51 12.4 124
  52 2.9 29
  53 1.2 12
  54 0.05 1
  55 3.4 34
  56 0.7 7
  57 0.3 3
  61 0.01 0
  62 0.4 4
  63 2.7 27
  64 2.9 29
  65 0.88 9
  66 1.5 15
  67 0.4 4
  68 0.4 4
  69 0.1 1
  70 0.3 3
  71 0.2 2
  74 0.8 8
  75 0.08 1
  76 1.7 17
  77 17 170
  78 4.2 42
  79 0.19 2
  80 2.3 23
  81 0.3 3
  84 0.2 2
  85 0.02 0
  86 0.3 3
  87 0.1 1
  88 0.2 2
  89 0.07 1
  90 1.1 11
  91 19.4 194
  92 4.4 44
  93 0.41 4
  94 1 10
  95 0.4 4
  96 0.1 1
  101 0.04 0
  102 0.8 8
  103 1.1 11
  104 5.1 51
  105 0.16 2
  106 1.4 14
  107 0.3 3
  108 2.1 21
  109 0.47 5
  110 0.4 4
  113 0.2 2
  114 0.4 4
  115 0.4 4
  116 0.9 9
  117 4.2 42
  118 2.8 28
  119 0.09 1
  120 10.4 104
  121 0.8 8
  122 0.5 5
  126 0.03 0
  127 1.3 13
  128 1.6 16
  129 0.9 9
  130 0.4 4
  131 1.4 14
  132 4 40
  133 1.3 13
  134 0.04 0
  135 0.7 7
  136 4.2 42
  137 0.4 4
  138 0.01 0
  139 2.3 23
  140 0.9 9
  141 2.5 25
  142 0.09 1
  143 0.4 4
  144 1.6 16
  145 0.6 6
  146 0.08 1
  147 0.5 5
  148 0.9 9
  149 0.2 2
  150 0.01 0
  151 0.3 3
  152 0.9 9
  153 1.3 13
  154 0.22 2
  155 1.4 14
  156 1 10
  157 0.3 3
  158 0.06 1
  159 0.5 5
  160 99.99 999
  161 13.4 134
  162 0.09 1
  163 0.1 1
  164 0.1 1
  165 0.4 4
  166 0.07 1
  167 2.3 23
  168 3.6 36
  169 1.3 13
  170 0.2 2
  171 0.3 3
  172 0.1 1
  173 0.1 1
  174 0.02 0
  175 0.1 1
  176 0.6 6
  177 0.2 2
  178 0.02 0
  179 0.2 2
  180 2.2 22
  181 1.5 15
  182 0.08 1
  183 1.2 12
  184 0.7 7
  185 5.4 54
  187 0.1 1
  188 0.1 1
  189 0.08 1
  192 0.1 1
  193 0.01 0
  194 0.3 3
  195 0.3 3
  196 6.4 64
  197 0.15 2
  198 31.8 318
  199 5.6 56
  200 0.4 4
  204 0.02 0
  205 0.1 1
  206 0.1 1
  207 0.1 1
  208 0.03 0
  209 0.3 3
  210 0.1 1
  211 0.6 6
  212 0.01 0
  220 0.3 3
  221 0.3 3
  222 0.3 3
  223 0.01 0
  224 1.2 12
  225 0.4 4
  235 0.1 1
  236 0.04 0
  237 0.1 1
  251 0.1 1
  252 2.7 27
  253 5.6 56
  254 9.2 92
  255 1 10
  256 0.1 1
//