MassBank Record: PR010090



 o-Phenanthroline; GC-EI-TOF; MS; BP:180 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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$LINK: NIKKAJI J543.441F
AC$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 //