MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012155
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012155
RECORD_TITLE: DECANE; 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$NAME: DECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H22
CH$EXACT_MASS: 142.17215
CH$SMILES: CCCCCCCCCC
CH$IUPAC: InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
CH$LINK: CAS
124-18-5
CH$LINK: INCHIKEY
DIOQZVSQGTUSAI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6024913
AC$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: splash10-0006-9800000000-315facd0cd21bf8a5979
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
57 30.79 308
58 1.39 14
71 43.57 436
72 2.6 26
85 37.06 371
86 2.57 26
99 12.3 123
113 2.04 20
127 5.3 53
141 99.99 999
142 14.29 143
//