ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006304
RECORD_TITLE: PHENANTHRENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-004i-0900000000-b24f62c0541e48c04349
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  39 1.36 14
  50 1.34 13
  51 1.14 11
  62 0.76 8
  63 1.81 18
  74 1.46 15
  75 1.5 15
  76 1.46 15
  86 0.59 6
  87 1.24 12
  88 0.94 9
  89 1.53 15
  98 0.72 7
  99 0.71 7
  126 1.12 11
  139 0.96 10
  150 3.22 32
  151 3.45 35
  152 5.43 54
  153 0.82 8
  174 1.04 10
  175 1.19 12
  176 10.06 101
  177 7.12 71
  178 99.99 999
  179 15.73 157
  180 1.53 15
  182 2.15 22
//