ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003132
RECORD_TITLE: PTEROCARPIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: PTEROCARPIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₄O₅
CH$EXACT_MASS: 298.08412
CH$SMILES: COc(c5)cc(O4)c(c5)C([H])(O1)C([H])(C4)c(c2)c(cc(O3)c(OC3)2)1
CH$IUPAC: InChI=1S/C17H14O5/c1-18-9-2-3-10-13(4-9)19-7-12-11-5-15-16(21-8-20-15)6-14(11)22-17(10)12/h2-6,12,17H,7-8H2,1H3/t12-,17-/m0/s1
CH$LINK: INCHIKEY YLZYAUCOYZKLMA-SJCJKPOMSA-N

AC$INSTRUMENT: HITACHI RMU-7L
AC$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$SPLASH: splash10-0002-0490000000-c56e2efc262f968345cb
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  107 2 20
  115 2 20
  133 3 30
  139 2 20
  141 2 20
  148 20 200
  149 5 50
  152 2 20
  161 8 80
  162 14 140
  169 2 20
  175 5 50
  197 2 20
  267 2 20
  283 10 100
  297 15 150
  298 99.99 999
  299 16 160
//