ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004140
RECORD_TITLE: N-HEXADECYL-5-METHYL-2-PYRROLIDONE; 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$NAME: N-HEXADECYL-5-METHYL-2-PYRROLIDONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₄₁NO
CH$EXACT_MASS: 323.31881
CH$SMILES: CCCCCCCCCCCCCCCCN(C(C)1)C(=O)CC1
CH$IUPAC: InChI=1S/C21H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-20(2)17-18-21(22)23/h20H,3-19H2,1-2H3
CH$LINK: INCHIKEY KQSWUMKCKNXRSK-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-03di-4911000000-d2619732209528843faf
PK$NUM_PEAK: 94
PK$PEAK: m/z int. rel.int.
  26 1.5 15
  27 4.8 48
  29 9.2 92
  30 1.26 13
  31 0.8 8
  32 0.9 9
  39 2.4 24
  40 0.12 1
  41 20.9 209
  42 6.3 63
  43 25.5 255
  44 0.75 8
  46 1 10
  53 1.4 14
  54 2 20
  55 2.65 27
  56 7.9 79
  57 15.3 153
  58 1.9 19
  59 0.1 1
  67 1.7 17
  68 1.2 12
  69 7 70
  70 0.48 5
  71 1.1 11
  81 1.3 13
  82 5.4 54
  83 0.96 10
  84 16.3 163
  85 3.4 34
  86 1.7 17
  94 0.09 1
  95 1 10
  96 1.6 16
  97 2.7 27
  98 1.72 17
  99 3.9 39
  100 7.9 79
  101 0.7 7
  110 0.1 1
  111 2 20
  112 99.99 999
  113 94 940
  114 0.82 8
  115 0.6 6
  126 19 190
  127 6.7 67
  128 0.1 1
  138 2.2 22
  139 0.5 5
  140 22.8 228
  141 0.65 7
  142 0.9 9
  154 10 100
  155 2.8 28
  156 0.09 1
  166 0.8 8
  167 0.5 5
  168 6.7 67
  169 0.32 3
  170 0.7 7
  182 4.3 43
  183 1 10
  196 0.55 6
  197 2.2 22
  198 0.3 3
  208 0.5 5
  210 0.47 5
  211 1.4 14
  212 0.5 5
  224 4.7 47
  225 0.17 2
  238 4.9 49
  239 1.8 18
  252 3.8 38
  253 0.23 2
  254 0.7 7
  266 3 30
  267 1.3 13
  268 0.09 1
  280 4.5 45
  281 2 20
  294 3.3 33
  295 0.36 4
  296 1 10
  306 1.6 16
  307 0.7 7
  308 0.07 1
  309 18.2 182
  310 0.7 7
  322 2.5 25
  323 2.77 28
  324 7.4 74
  325 1.5 15
//