ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001596
RECORD_TITLE: PHENANTHRENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: PHENANTHRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₀
CH$EXACT_MASS: 178.07825
CH$SMILES: c(c3)cc(c1)c(c3)c(c2)c(ccc2)c1
CH$IUPAC: InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
CH$LINK: CAS 85-01-8
CH$LINK: INCHIKEY YNPNZTXNASCQKK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6024254

AC$INSTRUMENT: VARIAN MAT-44
AC$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$SPLASH: splash10-004i-8900000000-cde516a2b6fa8d9f3127
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  44 1.71 17
  50 2.42 24
  51 3 30
  62 3.14 31
  63 12.71 127
  74 3.57 36
  75 14.14 141
  76 46.28 463
  77 2.42 24
  86 1 10
  87 5.71 57
  88 27.71 277
  89 36 360
  98 1 10
  99 1 10
  139 1.28 13
  150 4.14 41
  151 6.42 64
  152 8.14 81
  168 1.14 11
  174 1.71 17
  175 2.57 26
  176 18.42 184
  177 12.14 121
  178 99.99 999
  179 15.14 151
//