MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004905
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004905
RECORD_TITLE: BICYCLO(6.1.0)NONANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: BICYCLO(6.1.0)NONANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16
CH$EXACT_MASS: 124.12520
CH$SMILES: C(C2)CCC(C1)C(CC2)1
CH$IUPAC: InChI=1S/C9H16/c1-2-4-6-9-7-8(9)5-3-1/h8-9H,1-7H2
CH$LINK: CAS
286-60-2
CH$LINK: INCHIKEY
FYECUAIUGWFPJF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID50929833
AC$INSTRUMENT: JEOL JMS-D-3000
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: splash10-0gc1-9000000000-137cb3b1e6823371194f
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
41 72.55 726
42 6.5 65
51 3.33 33
52 2.2 22
53 14.88 149
54 89.86 899
55 68.81 688
56 8.71 87
57 3.45 35
65 3.45 35
66 9.05 91
67 99.99 999
68 45.33 453
69 14.77 148
70 4.01 40
77 3.62 36
79 7.64 76
80 3.73 37
81 69.38 694
82 52 520
83 12.67 127
95 37.06 371
96 69.89 699
97 5.48 55
109 4.75 48
124 16.24 162
125 1.58 16
//