MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011893
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011893
RECORD_TITLE: 5-AMINOVALERIC ACID; 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$NAME: 5-AMINOVALERIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H11NO2
CH$EXACT_MASS: 117.07898
CH$SMILES: NCCCCC(O)=O
CH$IUPAC: InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)
CH$LINK: CAS
660-88-8
CH$LINK: INCHIKEY
JJMDCOVWQOJGCB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70216212
AC$INSTRUMENT: HITACHI M-2500
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: splash10-0536-9000000000-5adf6445ea3955b657bd
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
14 1.55 16
15 7.13 71
17 2.06 21
18 15.27 153
26 6.54 65
27 34.1 341
28 54.66 547
29 16.73 167
30 99.99 999
31 19.12 191
37 1.91 19
38 4.37 44
39 29.23 292
40 6.14 61
41 35.66 357
42 43.66 437
43 37.88 379
44 34.57 346
45 52.37 524
46 1.48 15
50 1.72 17
51 2.24 22
52 1.8 18
53 4.08 41
54 6.42 64
55 38.86 389
56 51.74 517
57 4.81 48
58 3.3 33
59 1.19 12
60 15.11 151
68 2.37 24
69 1.37 14
70 9.49 95
71 4.6 46
72 6.89 69
73 3.02 30
82 1.65 17
89 2.28 23
98 14 140
99 31.23 312
100 8.87 89
101 2.04 20
116 1.37 14
117 35.67 357
118 10.82 108
//