ACCESSION: MSBNK-Kazusa-KZ000001
RECORD_TITLE: o-Phenanthroline; GC-EI-TOF; MS; 0 TMS; BP:180
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01379_P000053

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 66-71-7
CH$LINK: KEGG C00604
CH$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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 2687.7
AC$CHROMATOGRAPHY: RETENTION_TIME 1126.71 sec

MS$FOCUSED_ION: BASE_PEAK 180
MS$FOCUSED_ION: DERIVATIVE_TYPE 0 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0fai-1900000000-8bf54d7a505254cd0f42
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  84 4 4
  85 19 19
  86 42 42
  87 73 73
  88 36 36
  89 30 30
  90 162 162
  91 3 3
  96 1 1
  97 11 11
  98 72 72
  99 125 125
  100 134 134
  101 82 82
  102 55 55
  103 21 21
  104 4 4
  109 2 2
  110 6 6
  111 9 9
  112 7 7
  113 11 11
  114 12 12
  115 3 3
  116 1 1
  120 1 1
  121 1 1
  122 8 8
  123 15 15
  124 28 28
  125 166 166
  126 151 151
  127 180 180
  128 45 45
  129 93 93
  130 9 9
  138 1 1
  139 1 1
  140 3 3
  141 1 1
  142 1 1
  150 7 7
  151 52 52
  152 167 167
  153 273 273
  154 284 284
  155 35 35
  156 2 2
  177 9 9
  178 15 15
  179 472 472
  180 999 999
  181 149 149
  182 11 11
  183 1 1
//