ACCESSION: MSBNK-RIKEN-PR010090
RECORD_TITLE: o-Phenanthroline; GC-EI-TOF; MS; BP:180
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: 1,10-Phenanthroline
CH$NAME: o-Phenanthroline
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₂H₈N₂
CH$EXACT_MASS: 180.06875
CH$SMILES: c(c3)cc(c1)c(n3)c(n2)c(ccc2)c1
CH$IUPAC: InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
CH$LINK: CAS 5144-89-8
CH$LINK: NIKKAJI J543.441F
CH$LINK: INCHIKEY DGEZNRSVGBDHLK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1025857

AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: RETENTION_INDEX 2079.7
AC$CHROMATOGRAPHY: RETENTION_TIME 496.635 sec

MS$FOCUSED_ION: BASE_PEAK 180
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-003r-4900000000-e878f31ffa5b4af39dfd
PK$NUM_PEAK: 104
PK$PEAK: m/z int. rel.int.
  60 6 6
  61 52 52
  62 93 93
  63 235 235
  64 29 29
  65 8 8
  66 3 3
  71 1 1
  72 3 3
  73 19 19
  74 136 136
  75 123 123
  76 158 158
  77 88 88
  78 18 18
  79 27 27
  80 3 3
  83 1 1
  84 3 3
  85 13 13
  86 29 29
  87 47 47
  88 25 25
  89 23 23
  90 145 145
  91 2 2
  96 1 1
  97 7 7
  98 50 50
  99 87 87
  100 92 92
  101 61 61
  102 37 37
  103 14 14
  104 3 3
  105 1 1
  109 2 2
  110 5 5
  111 6 6
  112 5 5
  113 9 9
  114 9 9
  115 1 1
  120 1 1
  121 1 1
  122 6 6
  123 9 9
  124 16 16
  125 117 117
  126 103 103
  127 126 126
  128 32 32
  129 70 70
  130 8 8
  138 1 1
  139 1 1
  140 2 2
  141 2 2
  142 1 1
  146 1 1
  150 7 7
  151 36 36
  152 124 124
  153 207 207
  154 231 231
  155 27 27
  156 2 2
  164 1 1
  165 1 1
  166 1 1
  167 1 1
  170 1 1
  176 1 1
  177 8 8
  178 14 14
  179 454 454
  180 999 999
  181 140 140
  182 10 10
  188 1 1
  204 1 1
  227 1 1
  229 1 1
  272 1 1
  303 1 1
  327 1 1
  350 1 1
  441 1 1
  472 1 1
  529 1 1
  535 1 1
  552 1 1
  595 1 1
  596 1 1
  599 1 1
  633 1 1
  645 1 1
  670 1 1
  695 1 1
  723 1 1
  740 2 2
  753 1 1
  768 2 2
  796 1 1
//