ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012330
RECORD_TITLE: AZULENE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: AZULENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₈
CH$EXACT_MASS: 128.06260
CH$SMILES: C(=C2)C=CC(=C1)C(=C2)C=C1
CH$IUPAC: InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H
CH$LINK: CAS 275-51-4
CH$LINK: INCHIKEY CUFNKYGDVFVPHO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2059770

AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

PK$SPLASH: splash10-004i-0900000000-2213d10b2051b89a62eb
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  128 19.12 191
  129 99.99 999
  130 12.54 125
  157 11.68 117
  158 1.47 15
  169 4.2 42
//