MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003884

CAPROLACTAM; EI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003884
RECORD_TITLE: CAPROLACTAM; 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$NAME: CAPROLACTAM
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₁NO
CH$EXACT_MASS: 113.08406
CH$SMILES: O=C(C1)NCCCC1
CH$IUPAC: InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
CH$LINK: INCHIKEY JBKVHLHDHHXQEQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4020240

---

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$SPLASH: splash10-0bt9-9200000000-0d6a682cae74fe53b7aa
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 14.7 147
  28 26.5 265
  29 8.2 82
  30 8.09 81
  39 13.2 132
  40 3.5 35
  41 32.4 324
  42 6.47 65
  43 17.6 176
  44 3.3 33
  53 2.4 24
  54 0.24 2
  55 99.99 999
  56 66.2 662
  57 8.8 88
  67 0.88 9
  68 3.5 35
  69 2.4 24
  70 2.1 21
  71 0.15 2
  83 5.3 53
  84 60.3 603
  85 56.5 565
  86 0.29 3
  112 86.8 868
  113 3.2 32
  114 8.8 88
//