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
//