MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003895
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003895
RECORD_TITLE: ADIPIC 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$NAME: ADIPIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10O4
CH$EXACT_MASS: 146.05791
CH$SMILES: OC(=O)CCCCC(O)=O
CH$IUPAC: InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
CH$LINK: INCHIKEY
WNLRTRBMVRJNCN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7021605
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: splash10-0a6u-9000000000-36d8bc2f7d1a77a7b466
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
14 3.7 37
15 4.3 43
26 8.8 88
27 3.76 38
28 67.5 675
29 22 220
30 3.2 32
31 0.6 6
36 7 70
37 2.8 28
38 4.2 42
39 2.24 22
40 8.9 89
41 58.1 581
42 33.7 337
43 3.25 33
44 10.9 109
45 36.5 365
46 3.8 38
47 0.38 4
50 3.4 34
51 3 30
53 3.7 37
54 0.83 8
55 99.99 999
56 24.2 242
57 3.1 31
58 0.6 6
59 3.8 38
60 25.2 252
68 4.2 42
69 1.9 19
70 3.2 32
73 14.3 143
74 3.2 32
77 0.32 3
79 2.5 25
81 14.1 141
82 5.8 58
83 0.4 4
84 11.6 116
85 3 30
86 2.9 29
87 1.7 17
96 3 30
100 46.3 463
101 3.6 36
110 0.27 3
128 2.9 29
129 2.8 28
//