ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000450
RECORD_TITLE: 3-ACETYL-1-METHYL-6-NITROINDOLE; 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$NAME: 3-ACETYL-1-METHYL-6-NITROINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₀N₂O₃
CH$EXACT_MASS: 218.06914
CH$SMILES: [O-1][N+1](=O)c(c2)cc(n(C)1)c(c2)c(C(C)=O)c1
CH$IUPAC: InChI=1S/C11H10N2O3/c1-7(14)10-6-12(2)11-5-8(13(15)16)3-4-9(10)11/h3-6H,1-2H3
CH$LINK: INCHIKEY DJCNZIVWZCTHIP-UHFFFAOYSA-N

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$SPLASH: splash10-0udi-9290000000-7efdeacbe342ae563798
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  41 10.8 108
  42 4.5 45
  43 31 310
  44 0.42 4
  51 2.3 23
  54 1.3 13
  55 15 150
  56 0.35 4
  57 18 180
  60 4.5 45
  61 1.2 12
  62 0.13 1
  63 1.7 17
  67 3.2 32
  68 1.8 18
  69 1.2 12
  70 2.5 25
  71 6.8 68
  73 5.2 52
  75 0.17 2
  76 2 20
  77 4.3 43
  78 1 10
  79 0.15 2
  81 3.8 38
  82 2.7 27
  83 6.7 67
  84 0.27 3
  85 3.3 33
  87 2.8 28
  88 1.3 13
  89 0.12 1
  90 1 10
  95 2.5 25
  96 2.3 23
  97 0.48 5
  98 2 20
  101 2.3 23
  102 7.3 73
  103 0.25 3
  109 1.3 13
  114 2 20
  115 2.2 22
  116 0.12 1
  123 1 10
  127 1 10
  128 4.2 42
  129 0.43 4
  130 1 10
  143 1.5 15
  145 3.7 37
  157 7.73 77
  158 9.7 97
  172 1.2 12
  173 2.2 22
  203 99.99 999
  204 6.3 63
  218 38.7 387
  219 3.8 38
//