MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012164
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012164
RECORD_TITLE: PENTADECANE; 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$NAME: PENTADECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H32
CH$EXACT_MASS: 212.25040
CH$SMILES: CCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3
CH$LINK: CAS
629-62-9
CH$LINK: INCHIKEY
YCOZIPAWZNQLMR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6027268
AC$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: splash10-03di-7390000000-f509a4515ba26bf8afce
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
55 5.59 56
56 3.93 39
57 30.19 302
58 1.39 14
59 1.75 18
69 1.86 19
71 38.75 388
72 2.9 29
85 8.92 89
99 6.81 68
113 6.88 69
127 6.24 62
141 5.48 55
155 4.15 42
169 2.78 28
183 2.86 29
197 10 100
198 1.59 16
211 99.99 999
212 17.78 178
213 1.55 16
//