ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004413
RECORD_TITLE: 5-NITRO-3-PHENYLINDOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 5-NITRO-3-PHENYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₀N₂O₂
CH$EXACT_MASS: 238.07423
CH$SMILES: C1=CC=C(C=C1)C2=CNC3=C2C=C(C=C3)[N+](=O)[O-]
CH$IUPAC: InChI=1S/C14H10N2O2/c17-16(18)11-6-7-14-12(8-11)13(9-15-14)10-4-2-1-3-5-10/h1-9,15H
CH$LINK: INCHIKEY DCNCQDFYTMGSMZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90347012

AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05n3-9430000000-4f452533d3608845666d
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
  41 26 260
  42 3.7 37
  43 42.7 427
  44 4.87 49
  45 36.1 361
  51 1.8 18
  53 1.2 12
  54 0.23 2
  55 33.4 334
  56 8.7 87
  57 49.4 494
  60 0.8 8
  61 1.6 16
  63 1.6 16
  64 1.6 16
  67 0.73 7
  68 3.8 38
  69 28.1 281
  71 2.14 21
  74 8 80
  76 6.5 65
  77 3.6 36
  78 1.1 11
  79 0.17 2
  80 1 10
  81 9.3 93
  82 8.7 87
  83 1.8 18
  84 6.3 63
  85 11.3 113
  87 1.9 19
  89 0.1 1
  91 1.2 12
  93 1.3 13
  95 6.1 61
  96 0.68 7
  97 13.3 133
  98 4.5 45
  99 2.2 22
  105 0.13 1
  106 1.2 12
  107 10.7 107
  108 1 10
  109 0.27 3
  110 1.9 19
  111 5.7 57
  112 1.1 11
  113 0.17 2
  115 2.1 21
  119 1.9 19
  121 1 10
  123 0.21 2
  125 1.8 18
  127 1.5 15
  129 2 20
  136 0.65 7
  137 1.6 16
  138 1.2 12
  139 2.6 26
  149 0.16 2
  151 1 10
  152 1.9 19
  153 1 10
  163 1 10
  164 11.3 113
  165 60.7 607
  166 4.8 48
  180 0.3 3
  181 21 210
  190 3.9 39
  191 10.7 107
  192 3.14 31
  193 2.4 24
  208 2.7 27
  236 1 10
  237 0.16 2
  238 99.99 999
  239 10.7 107
//