ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011648
RECORD_TITLE: GUANINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: GUANINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₅N₅O
CH$EXACT_MASS: 151.04941
CH$SMILES: C1=NC2=C(N1)C(=O)N=C(N2)N
CH$IUPAC: InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
CH$LINK: CAS 73-40-5
CH$LINK: NIKKAJI J9.344K
CH$LINK: INCHIKEY UYTPUPDQBNUYGX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9052476

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-0udi-5900000000-0a63148e3a8dc8d026df
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  15 1.03 10
  17 1 10
  18 4.9 49
  27 2.08 21
  28 10.82 108
  29 1.31 13
  36 2.73 27
  38 1.18 12
  39 1.53 15
  41 1.4 14
  42 3.45 35
  43 15.54 155
  44 4.48 45
  45 1.06 11
  53 8.54 85
  54 11.44 114
  55 2.43 24
  56 1.07 11
  65 1.25 13
  66 1.43 14
  68 2.29 23
  69 4.14 41
  70 1.46 15
  73 10.83 108
  74 7.1 71
  75 1.71 17
  77 1.02 10
  79 1.44 14
  80 1.92 19
  81 5.73 57
  82 2.13 21
  83 1.86 19
  91 5.38 54
  92 1.98 20
  96 2.15 22
  103 1.14 11
  106 1.98 20
  107 1.05 11
  108 9.14 91
  109 14.82 148
  110 12.15 122
  111 1.01 10
  115 1.47 15
  117 1.37 14
  119 1.07 11
  120 6.78 68
  123 1.11 11
  124 1.14 11
  131 1.84 18
  132 1.39 14
  133 12.5 125
  134 9.16 92
  135 13.8 138
  136 1.66 17
  147 2.33 23
  148 1.01 10
  149 2.43 24
  150 1.08 11
  151 99.99 999
  152 10.87 109
//