ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009513
RECORD_TITLE: 9-ANTHRALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
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$LINK: CAS 642-31-9
CH$LINK: INCHIKEY YMNKUHIVVMFOFO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9060940

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-004i-2930000000-b5f840927d5d673cab91
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  27 1.13 11
  28 1.07 11
  29 2.5 25
  39 2.56 26
  50 3.27 33
  51 3.25 33
  62 3.35 34
  63 5.96 60
  74 5.72 57
  75 6.91 69
  76 9.03 90
  77 1.62 16
  86 3.2 32
  87 5.21 52
  88 10.94 109
  89 10.53 105
  98 3.93 39
  99 2.81 28
  100 1.11 11
  101 1.01 10
  102 1.1 11
  103 1.79 18
  110 1.49 15
  111 1.7 17
  122 1.41 14
  125 1.11 11
  126 3.38 34
  127 1.36 14
  128 1.22 12
  139 1.99 20
  149 1.93 19
  150 11.78 118
  151 14.91 149
  152 10.18 102
  153 1.22 12
  174 4.91 49
  175 6.65 67
  176 39.61 396
  177 30.33 303
  178 99.99 999
  179 15.28 153
  180 1.25 13
  205 30.52 305
  206 56.63 566
  207 9.12 91
//