MassBank Record: OUF00200

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DL-Pipecolic acid; GC-EI-TOF; MS; n TMS; RT:480.339 sec

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

ACCESSION: OUF00200
RECORD_TITLE: DL-Pipecolic acid; GC-EI-TOF; MS; n TMS; RT:480.339 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: DL-Pipecolic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C6H11NO2
CH$EXACT_MASS: 129.078980000000001382431946694850921630859375
CH$SMILES: OC(=O)C([H])(C1)NCCC1
CH$IUPAC: InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
CH$LINK: CAS 535-75-1
CH$LINK: CHEBI 270397 30633 30913
CH$LINK: CHEMSPIDER 388365
CH$LINK: INCHIKEY HXEACLLIILLPRG-YFKPBYRVSA-N
CH$LINK: KEGG C00408
CH$LINK: PUBCHEM 439227 6931663

AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 1363.277
AC$CHROMATOGRAPHY: RETENTION_TIME 480.339 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-0a4i-0900000000-c7875e682dfb275cdf1e
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
  85 11 11
  86 17 17
  87 6 6
  88 2 2
  89 1 1
  94 4 4
  95 1 1
  96 1 1
  97 2 2
  98 5 5
  99 6 6
  100 12 12
  101 4 4
  102 4 4
  103 8 8
  104 1 1
  105 2 2
  108 2 2
  110 2 2
  111 1 1
  112 14 14
  113 7 7
  114 6 6
  115 4 4
  116 1 1
  117 8 8
  118 1 1
  119 3 3
  122 2 2
  124 1 1
  126 9 9
  127 1 1
  128 15 15
  129 9 9
  130 3 3
  131 13 13
  132 3 3
  133 24 24
  134 4 4
  135 2 2
  138 1 1
  140 8 8
  141 2 2
  142 3 3
  143 1 1
  147 62 62
  148 10 10
  149 4 4
  152 3 3
  154 13 13
  155 7 7
  156 999 999
  157 149 149
  158 49 49
  159 4 4
  168 7 7
  170 1 1
  175 3 3
  184 7 7
  185 1 1
  186 1 1
  230 44 44
  231 16 16
  232 6 6
  233 1 1
  244 1 1
  258 3 3
  259 1 1
  273 1 1
//