ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003235
RECORD_TITLE: 3,5-DIMETHYL-4-(2'-TETRALOYL)METHYL-ISOXAZOLE; 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$NAME: 3,5-DIMETHYL-4-(2'-TETRALOYL)METHYL-ISOXAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H17NO2
CH$EXACT_MASS: 255.12593
CH$SMILES: Cc(n3)c(c(C)o3)CC(C1)C(=O)c(c2)c(ccc2)C1
CH$IUPAC: InChI=1S/C16H17NO2/c1-10-15(11(2)19-17-10)9-13-8-7-12-5-3-4-6-14(12)16(13)18/h3-6,13H,7-9H2,1-2H3
CH$LINK: INCHIKEY ZOWAUHGAZHGGNP-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-6E
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: splash10-03dl-8940000000-2d21847a39cab190e672
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  41 3 30
  42 12 120
  43 58 580
  68 64 640
  110 99.99 999
  146 46 460
  212 29 290
  255 45 450
//
