MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002471
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002471
RECORD_TITLE: D-CAMPHOLIC ACID; 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$NAME: D-CAMPHOLIC ACID
CH$NAME: (D)-TRANS-1,2,2,3-TETRAMETHYLCYCLOPENTANECARBOXYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O2
CH$EXACT_MASS: 170.13068
CH$SMILES: OC(=O)C(C)(C1)C(C)(C)C([H])(C)C1
CH$IUPAC: InChI=1S/C10H18O2/c1-7-5-6-10(4,8(11)12)9(7,2)3/h7H,5-6H2,1-4H3,(H,11,12)/t7-,10+/m1/s1
CH$LINK: INCHIKEY
JDFOIACPOPEQLS-XCBNKYQSSA-N
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$SPLASH: splash10-00lr-9000000000-7e708060dec5f0ea6624
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
42 2.55 26
43 11.66 117
45 6.97 70
53 3.67 37
55 15.86 159
56 6.43 64
57 2.81 28
58 1.86 19
59 10.48 105
67 4.77 48
68 2.1 21
69 73.71 737
70 9.43 94
71 2.33 23
73 1.93 19
74 5 50
77 1.13 11
79 1.27 13
81 3.22 32
82 1.83 18
83 6.83 68
84 99.99 999
85 7.89 79
87 16.71 167
95 2.21 22
96 9.69 97
97 9.12 91
99 2.32 23
100 2.85 29
101 1.24 12
109 7.39 74
110 1.5 15
113 3.3 33
114 3.97 40
115 1.12 11
127 1.97 20
152 1.41 14
170 4.68 47
//