ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001580
RECORD_TITLE: 1,3-BUTADIENE; 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$NAME: 1,3-BUTADIENE
CH$NAME: BUTADIENE 1,3
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₆
CH$EXACT_MASS: 54.04695
CH$SMILES: C=CC=C
CH$IUPAC: InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2
CH$LINK: CAS 106-99-0
CH$LINK: COMPTOX DTXSID3020203
CH$LINK: INCHIKEY KAKZBPTYRLMSJV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7845

AC$INSTRUMENT: HITACHI RMU-5B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 80 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0ufr-9000000000-cddbfceffd529008d5ec
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  12 1.38 14
  13 1.61 16
  14 2.58 26
  15 2.22 22
  25 4.6 46
  25.5 3.57 36
  26 25.2 252
  27 60.06 601
  28 41.12 411
  29 1.17 12
  36 1.82 18
  37 8.16 82
  38 8.66 87
  39 99.99 999
  40 3.48 35
  48 2.19 22
  49 10.06 101
  50 27.8 278
  51 24.01 240
  52 11.31 113
  53 59.77 598
  54 84.58 846
  55 3.8 38
//