MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001554
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001554
RECORD_TITLE: CYCLOHEPTATRIENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: CYCLOHEPTATRIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8
CH$EXACT_MASS: 92.06260
CH$SMILES: C(C=1)C=CC=CC1
CH$IUPAC: InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2
CH$LINK: INCHIKEY
CHVJITGCYZJHLR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5073909
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9000000000-0aef34a2a88c90bb79c6
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
26 1.15 12
27 4.27 43
37 1.96 20
38 4.48 45
39 19.16 192
40 2.9 29
41 1.94 19
43 1.19 12
45 2.54 25
45.5 1.18 12
46 1.54 15
50 4.03 40
51 6.94 69
52 2.2 22
53 1.85 19
61 2.04 20
62 4 40
63 8.94 89
64 2.03 20
65 20 200
66 3.57 36
77 1.97 20
79 1.3 13
89 3.77 38
90 1.58 16
91 99.99 999
92 49.44 494
93 3.81 38
//