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
//