ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004415
RECORD_TITLE: 7-METHOXY-2,3-DIMETHYL-6-(2-NITRO-1-PROPENYL)INDOLE; 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$NAME: 7-METHOXY-2,3-DIMETHYL-6-(2-NITRO-1-PROPENYL)INDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H16N2O3
CH$EXACT_MASS: 260.11609
CH$SMILES: CC1=C(NC2=C1C=CC(=C2OC)/C=C(/C)\[N+](=O)[O-])C
CH$IUPAC: InChI=1S/C14H16N2O3/c1-8(16(17)18)7-11-5-6-12-9(2)10(3)15-13(12)14(11)19-4/h5-7,15H,1-4H3/b8-7-
CH$LINK: INCHIKEY QBFAGEORWGZEPB-FPLPWBNLSA-N
AC$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-0007-9730000000-fc1609d0d3d300f061db
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
  43 57.8 578
  44 99.99 999
  45 79 790
  55 1.36 14
  57 11.9 119
  60 8.6 86
  69 9 90
  77 1.03 10
  91 4.8 48
  98 2 20
  99 1.9 19
  102 0.4 4
  105 2 20
  106 3.2 32
  107 3 30
  108 0.28 3
  110 3 30
  119 8.8 88
  120 2.2 22
  122 0.22 2
  131 5.5 55
  132 8.8 88
  133 5 50
  134 0.37 4
  135 2.5 25
  136 2.5 25
  145 3.4 34
  147 0.22 2
  148 3 30
  149 5.2 52
  153 2.6 26
  158 0.53 5
  159 3.8 38
  160 5.2 52
  161 2.2 22
  162 0.3 3
  163 3 30
  164 8 80
  166 3.8 38
  170 0.23 2
  171 3.8 38
  172 12 120
  173 4.3 43
  174 0.9 9
  175 25 250
  176 4 40
  177 2.5 25
  178 0.34 3
  179 12.4 124
  180 3.7 37
  185 8.1 81
  186 1.18 12
  188 6.6 66
  189 3.2 32
  190 1.7 17
  191 0.2 2
  192 1.7 17
  197 4 40
  198 42.5 425
  199 1.36 14
  200 5.5 55
  201 6 60
  202 4.4 44
  203 0.4 4
  210 44.2 442
  211 10.8 108
  212 4 40
  260 8.33 83
  261 9.1 91
//
