ACCESSION: MSBNK-Kazusa-KZ000093
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_04976_P000062

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 0.0000
AC$CHROMATOGRAPHY: RETENTION_TIME 1171.31 sec

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

PK$SPLASH: splash10-003r-1900000000-bf66a4d49c83dd24535e
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  84 2 2
  85 13 13
  86 28 28
  87 48 48
  88 25 25
  89 22 22
  90 125 125
  91 2 2
  97 8 8
  98 51 51
  99 89 89
  100 96 96
  101 60 60
  102 40 40
  103 15 15
  104 3 3
  109 1 1
  110 4 4
  111 6 6
  112 5 5
  113 8 8
  114 9 9
  115 2 2
  121 1 1
  122 5 5
  123 11 11
  124 20 20
  125 123 123
  126 108 108
  127 131 131
  128 32 32
  129 71 71
  130 7 7
  138 1 1
  139 1 1
  140 3 3
  141 1 1
  150 5 5
  151 36 36
  152 122 122
  153 207 207
  154 223 223
  155 26 26
  156 1 1
  177 9 9
  178 17 17
  179 476 476
  180 999 999
  181 148 148
  182 12 12
  183 1 1
//