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MassBank Record: MSJ00060

Glycerol; FAB-BE; MS; Positive; Matrix Glycerol

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSJ00060
RECORD_TITLE: Glycerol; FAB-BE; MS; Positive; Matrix Glycerol
DATE: 2018.02.01
AUTHORS: Rika Miyake, Graduate School of Engineering Science, Osaka University
LICENSE: CC BY
COPYRIGHT: Rika Miyake, Graduate School of Engineering Science, Osaka University
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
COMMENT: Sample was injected by flow injection

CH$NAME: Glycerol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C3H8O3
CH$EXACT_MASS: 92.04734
CH$SMILES: OCC(O)CO
CH$IUPAC: InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
CH$LINK: CHEMSPIDER 733
CH$LINK: INCHIKEY PEDCQBHIVMGVHV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:753
CH$LINK: COMPTOX DTXSID9020663

AC$INSTRUMENT: JMS-700, JEOL
AC$INSTRUMENT_TYPE: FAB-BE
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION FAB
AC$MASS_SPECTROMETRY: LASER Xe 6 keV
AC$MASS_SPECTROMETRY: MATRIX Glycerol
AC$MASS_SPECTROMETRY: RESOLUTION_SETTING 2000
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 1, 2000

PK$SPLASH: splash10-000f-9510000000-519ba94afdaaf53bffa5
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
  19 11004 42
  27 3068 12
  28 1948 7
  29 12844 49
  31 9932 38
  39 1692 6
  41 3004 11
  42 1388 5
  43 12844 49
  44 2988 11
  45 42108 161
  47 3228 12
  55 3116 12
  56 4924 19
  57 64364 245
  58 4572 17
  59 2492 9
  60 2012 8
  61 6620 25
  71 1436 5
  72 1772 7
  73 9596 37
  74 11852 45
  75 145324 554
  76 4924 19
  87 2428 9
  90 2524 10
  91 2540 10
  93 262076 999
  94 9148 35
  95 1964 7
  99 2796 11
  101 1980 8
  103 5196 20
  115 1548 6
  117 21420 82
  118 1900 7
  119 10732 41
  129 7644 29
  131 12604 48
  132 1372 5
  133 2604 10
  135 4396 17
  145 2172 8
  147 5788 22
  148 2124 8
  149 105612 403
  150 8492 32
  151 1724 7
  165 6940 26
  166 1772 7
  185 200300 764
  186 14444 55
  187 3708 14
  197 1564 6
  227 3084 12
  239 1484 6
  241 47052 179
  242 4252 16
  243 1388 5
  257 2924 11
  275 1756 7
  277 12924 49
  278 1676 6
  297 6588 25
  313 1740 7
  319 1468 6
  331 1324 5
  333 3820 15
  369 2332 9
//

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