ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000451
RECORD_TITLE: 1-ACETYL-2-METHYL-6-NITROINDOLIZINE; 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$NAME: 1-ACETYL-2-METHYL-6-NITROINDOLIZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₀N₂O₃
CH$EXACT_MASS: 218.06914
CH$SMILES: [O-1][N+1](=O)C(C([H])=2)=C([H])n(c([H])1)c(C([H])2)c(C(C)=O)c(C)1
CH$IUPAC: InChI=1S/C11H10N2O3/c1-7-5-12-6-9(13(15)16)3-4-10(12)11(7)8(2)14/h3-6H,1-2H3
CH$LINK: INCHIKEY NRACPSDSVVJUHL-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$SPLASH: splash10-0gb9-7590000000-cd81e16dd157c6bb6028
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  41 10.7 107
  42 1.2 12
  43 28.1 281
  44 0.41 4
  45 7.3 73
  50 2.6 26
  51 7.3 73
  52 0.28 3
  53 1.3 13
  55 10.1 101
  56 2.4 24
  57 1.74 17
  60 5.1 51
  63 3.1 31
  65 1.4 14
  68 0.16 2
  69 23.1 231
  70 2.3 23
  71 8.4 84
  73 0.5 5
  75 1.8 18
  76 3.7 37
  77 11.3 113
  78 0.79 8
  79 1.2 12
  81 7.3 73
  82 1.5 15
  83 0.42 4
  84 1.4 14
  85 3.9 39
  89 1.2 12
  91 0.16 2
  95 2 20
  97 3.3 33
  101 2.3 23
  102 0.84 8
  103 4.3 43
  107 6.2 62
  109 1.1 11
  111 0.12 1
  115 2.3 23
  116 1 10
  117 2.8 28
  128 0.59 6
  129 10.7 107
  130 4.6 46
  136 5.1 51
  137 0.14 1
  142 2.8 28
  143 4.6 46
  144 3.5 35
  145 0.13 1
  149 1.6 16
  157 46.7 467
  158 2.1 21
  171 0.29 3
  172 8.4 84
  173 1.4 14
  203 87.5 875
  204 0.52 5
  218 99.99 999
  219 7.3 73
//