ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001616
RECORD_TITLE: 1-NITRONAPHTHALENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 1-NITRONAPHTHALENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₇NO₂
CH$EXACT_MASS: 173.04768
CH$SMILES: [O-1][N+1](=O)c(c1)c(c2)c(ccc2)cc1
CH$IUPAC: InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
CH$LINK: CAS 86-57-7
CH$LINK: INCHIKEY RJKGJBPXVHTNJL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7020978

AC$INSTRUMENT: VARIAN MAT-44
AC$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$SPLASH: splash10-0fb9-9600000000-bdf73b19a48ec1965ff9
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  40 2.65 27
  41 1.19 12
  43 2.47 25
  44 1.28 13
  45 1 10
  46 23.55 236
  49 5.77 58
  50 56.27 563
  51 64.16 642
  52 9.34 93
  53 2.56 26
  61 11.82 118
  62 28.13 281
  63 50.96 510
  64 7.79 78
  65 8.15 82
  73 4.94 49
  74 42.07 421
  75 48.48 485
  76 21.99 220
  77 53.07 531
  78 5.31 53
  85 3.11 31
  86 8.79 88
  87 12.37 124
  88 5.59 56
  89 15.03 150
  90 9.25 93
  97 1.19 12
  98 7.88 79
  99 5.86 59
  100 5.95 60
  101 21.81 218
  102 7.42 74
  103 2.47 25
  113 3.11 31
  114 8.52 85
  115 99.99 999
  116 12.09 121
  117 7.51 75
  118 4.85 49
  125 4.3 43
  126 36.57 366
  127 85.88 859
  128 11.73 117
  129 12.28 123
  130 2.65 27
  143 10.99 110
  144 2.19 22
  145 13.01 130
  146 1.28 13
  172 2.93 29
  173 31.89 319
  174 3.75 38
//