ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003037
RECORD_TITLE: 9-ANTHRALDEHYDE; 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$NAME: 9-ANTHRALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₀O
CH$EXACT_MASS: 206.07316
CH$SMILES: O=Cc(c21)c(c3)c(ccc3)cc(cccc2)1
CH$IUPAC: InChI=1S/C15H10O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H
CH$LINK: INCHIKEY YMNKUHIVVMFOFO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9060940

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a6r-5970000000-3289851ff043835483d6
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  50 2.5 25
  51 3.7 37
  60 0.5 5
  61 0.08 1
  62 3 30
  63 6.3 63
  64 0.5 5
  65 0.08 1
  73 1 10
  74 4.8 48
  75 10.7 107
  76 1.73 17
  77 2 20
  85 1.3 13
  86 2.3 23
  87 0.65 7
  88 26.2 262
  89 20.8 208
  98 2.7 27
  99 0.27 3
  100 0.8 8
  101 2 20
  102 0.8 8
  103 0.75 8
  110 1 10
  111 1.3 13
  112 0.3 3
  113 0.07 1
  114 0.3 3
  115 1.2 12
  117 1 10
  122 0.08 1
  123 0.7 7
  124 0.5 5
  125 1.3 13
  126 0.28 3
  127 1.7 17
  128 0.8 8
  149 2.3 23
  150 0.1 1
  151 15.3 153
  152 7 70
  153 1.7 17
  174 0.53 5
  175 11 110
  176 40 400
  177 40 400
  178 6.65 67
  179 11 110
  180 0.8 8
  204 4.2 42
  205 0.48 5
  206 99.99 999
  207 16 160
  208 1.7 17
//