MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007648
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007648
RECORD_TITLE: ENDO-NORBORNEOL; 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$NAME: ENDO-NORBORNEOL
CH$NAME: ENDO-BICYCLO(2.2.1)HEPTAN-2-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12O
CH$EXACT_MASS: 112.08882
CH$SMILES: OC(C1)C(C2)CC(C2)1
CH$IUPAC: InChI=1S/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2/t5-,6+,7-/m1/s1
CH$LINK: INCHIKEY
ZQTYQMYDIHMKQB-DSYKOEDSSA-N
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 15 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00kf-9000000000-ca1ad94b6e27d5b0b522
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
43 1.41 14
44 1.18 12
45 3.12 31
54 1 10
55 3.12 31
56 4.71 47
57 8.01 80
58 1.89 19
66 35.35 354
67 17.85 179
68 32.11 321
69 2.95 30
70 6.6 66
71 2.95 30
79 39.65 397
80 3.42 34
81 5.48 55
82 1.06 11
83 6.48 65
84 3.89 39
93 2.42 24
94 99.99 999
95 7.31 73
97 3.77 38
108 1.18 12
111 1.24 12
112 4.01 40
//