MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012178
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012178
RECORD_TITLE: ETHYLCYCLOPENTANE; 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$NAME: ETHYLCYCLOPENTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14
CH$EXACT_MASS: 98.10955
CH$SMILES: CCC(C1)CCC1
CH$IUPAC: InChI=1S/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3
CH$LINK: CAS
1640-89-7
CH$LINK: INCHIKEY
IFTRQJLVEBNKJK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5075109
AC$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: splash10-0002-9000000000-cefe6292a7fbcad69383
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
55 3.62 36
56 2.18 22
57 49.87 499
58 2.22 22
59 4.23 42
68 1.24 12
69 5.13 51
71 5.35 54
75 1.97 20
83 17.98 180
84 1.22 12
85 1.59 16
97 99.99 999
98 15.36 154
99 21.9 219
100 1.76 18
//