MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003603
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003603
RECORD_TITLE: CYCLOPENTYLMETHANOL; 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$NAME: CYCLOPENTYLMETHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O
CH$EXACT_MASS: 100.08882
CH$SMILES: OCC(C1)CCC1
CH$IUPAC: InChI=1S/C6H12O/c7-5-6-3-1-2-4-6/h6-7H,1-5H2
CH$LINK: INCHIKEY
ISQVBYGGNVVVHB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70189896
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014l-9000000000-7cb2de4be876d07001fb
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
14 2.5 25
15 9 90
17 2.5 25
18 0.6 6
26 6 60
27 33.5 335
28 9 90
29 2.4 24
30 3 30
31 33 330
37 3 30
38 0.5 5
39 44 440
40 8 80
41 99.99 999
42 1.6 16
43 8 80
44 6 60
45 3 30
50 0.2 2
51 2.5 25
52 2 20
53 8.5 85
54 1 10
55 6.5 65
56 3.5 35
57 14 140
63 0.3 3
65 3 30
66 4 40
67 71 710
68 9.2 92
69 90.5 905
70 7 70
77 3 30
79 0.25 3
81 4 40
82 15 150
83 3.5 35
//