ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004400
RECORD_TITLE: 7-METHOXY-2,3-DIMETHYL-6-(2-NITROVINYL)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$NAME: 7-METHOXY-2,3-DIMETHYL-6-(2-NITROVINYL)INDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H14N2O3
CH$EXACT_MASS: 246.10044
CH$SMILES: CC1=C(NC2=C1C=CC(=C2OC)/C=C/[N+](=O)[O-])C
CH$IUPAC: InChI=1S/C13H14N2O3/c1-8-9(2)14-12-11(8)5-4-10(13(12)18-3)6-7-15(16)17/h4-7,14H,1-3H3/b7-6+
CH$LINK: INCHIKEY MGUCIGKTOVJJPS-VOTSOKGWSA-N
AC$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: splash10-0007-9100000000-6b2729f9338352a0009a
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  44 99.99 999
  45 48 480
  55 8 80
  56 0.38 4
  57 7.5 75
  60 5.1 51
  69 4.7 47
  85 0.14 1
  91 1.6 16
  97 1.1 11
  98 1.4 14
  103 0.1 1
  104 1.2 12
  115 1.4 14
  145 2.7 27
  149 0.1 1
  156 1.4 14
  160 3.3 33
  170 1.2 12
  183 0.12 1
  184 3.8 38
  185 1.2 12
  196 2.6 26
  197 0.66 7
  198 1.7 17
  213 1 10
  246 14.6 146
  247 1.8 18
//
