MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012167
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012167
RECORD_TITLE: HEPTADECANE; 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$NAME: HEPTADECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H36
CH$EXACT_MASS: 240.28170
CH$SMILES: CCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3
CH$LINK: CAS
629-78-7
CH$LINK: INCHIKEY
NDJKXXJCMXVBJW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7047061
AC$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: splash10-000i-1190000000-a6359ab2d935d5122c82
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
57 2.85 29
71 3.63 36
85 6.46 65
99 4.65 47
113 4.63 46
127 4.52 45
141 4.23 42
155 3.93 39
169 3.6 36
183 3.3 33
197 2.61 26
211 3.17 32
225 11.09 111
226 1.97 20
239 99.99 999
240 19.75 198
241 1.78 18
//